Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28654985 | 0.83 | CA12 (0.52) | CA12CA2CA9CA1CYP2D6 | |
| SCHEMBL10305720 | 0.82 | L3MBTL1 (0.44) | CA12CA2CA9HTTLMNA | |
| SCHEMBL21650439 | 0.80 | L3MBTL1 (0.47) | HTTLMNALIPEL3MBTL1 | |
| SCHEMBL19425970 | 0.80 | CA12 (0.38) | CA12CA2CA9CA1CYP2D6 | |
| Hydrochloric Acid SCHEMBL11630698 | 0.78 | L3MBTL1 (0.46) | HTTLMNALIPEL3MBTL1 | |
| SCHEMBL26001129 | 0.78 | ALDH1A1 (0.37) | CA12CA2CA9CYP2D6CYP1A2 | |
| SCHEMBL19403985 | 0.77 | GNAI3 (0.45) | CA12CA2CA9CA1CYP1A2 | |
| SCHEMBL14355566 | 0.77 | SMN1; SMN2 (0.47) | CA12CA2CA9CA1CYP2D6 | |
| SCHEMBL30987846 | 0.77 | CA12 (0.64) | CA12CA2CA9CA1CYP2D6 | |
| SCHEMBL22991203 | 0.75 | L3MBTL1 (0.34) | CA12CA2CA9HTTLIPE |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9908884-B2 | EGFR inhibitors and methods of treating disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-03-06 | — | — | US | disclosed |
| US-9908884-B2 | EGFR inhibitors and methods of treating disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-03-06 | — | — | US | disclosed |
| US-20170283422-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. | 2017-10-05 | — | — | US | disclosed |
| US-20140051674-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-20 | — | — | US | disclosed |
| US-20140051674-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-20 | — | — | US | disclosed |
| US-8466155-B2 | Pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-18 | — | — | US | disclosed |
| US-8466155-B2 | Pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-18 | — | — | US | disclosed |
| US-8410126-B2 | Pyrimidine inhibitors of PKTK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-04-02 | — | — | US | disclosed |
| US-20120094999-A1 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| US-8044213-B2 | Thiazolyl-benzimidazoles | HOFFMANN-LA ROCHE INC. (US) | 2011-10-25 | — | — | US | disclosed |
| US-20110237598-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-29 | — | — | US | disclosed |
| US-20110237598-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-29 | — | — | US | disclosed |
| US-20110130401-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-02 | — | — | US | disclosed |
| US-20110130401-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-02 | — | — | US | disclosed |
| US-20110071158-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | US | disclosed |
| US-20110071158-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | US | disclosed |
| US-20100160308-A1 | Thiazolyl-Benzimidazoles | CAI JIANPING | 2010-06-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120094999-A1 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | EGFR, ERBB2, ERBB4 | CA12 3430/4885CA2 2328/4885CA9 3626/4885 |
| US-20140051674-A1 | NEW COMPOUNDS | CCNA1, MKI67, CCNT1 | CA12 3128/4885CA2 3369/4885CA9 2733/4885 |
| US-20170283422-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | BRSK2, GRK3, BRSK1 | CA12 4804/4885CA2 4123/4885CA9 4609/4885 |
| US-20110071158-A1 | NEW COMPOUNDS | CCNA1, MKI67, CCNT1 | CA12 3128/4885CA2 3369/4885CA9 2733/4885 |
| US-20110130401-A1 | NEW CHEMICAL COMPOUNDS | RB1, MKI67, CCNA1 | CA12 2680/4885CA2 1786/4885CA9 2569/4885 |
| US-20110237598-A1 | NEW COMPOUNDS | CCNA1, MKI67, CCNE1 | CA12 3160/4885CA2 2533/4885CA9 2908/4885 |
| US-20100160308-A1 | Thiazolyl-Benzimidazoles | CYP3A7, CYP2C19, CYP3A5 | CA12 1713/4885CA2 1727/4885CA9 750/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.