Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13128481 | 0.87 | CTDSP1 (0.35) | HPGDNPSR1AURKAALDH1A1KMT2A | |
| SCHEMBL2811096 | 0.87 | NAMPT (0.41) | AURKAMEN1KMT2ABDKRB1TRPV1 | |
| SCHEMBL2811098 | 0.87 | NAMPT (0.41) | AURKAMEN1KMT2ABDKRB1TRPV1 | |
| SCHEMBL185912 | 0.87 | AURKA (0.36) | AURKAMEN1KMT2ATDP1BDKRB1 | |
| SCHEMBL2806710 | 0.86 | BDKRB1 (0.46) | HPGDNPSR1AURKAALDH1A1MAPT | |
| SCHEMBL2807542 | 0.86 | NAMPT (0.39) | HPGDNPSR1AURKAALDH1A1MAPT | |
| SCHEMBL2804848 | 0.85 | BDKRB1 (0.38) | HPGDNPSR1AURKAALDH1A1MAPT | |
| SCHEMBL13128468 | 0.85 | BDKRB1 (0.38) | HPGDNPSR1AURKAALDH1A1MAPT | |
| SCHEMBL2805433 | 0.85 | AR (0.38) | SMN1; SMN2RAB9ANPC1BDKRB1 | |
| SCHEMBL13128509 | 0.85 | CTDSP1 (0.35) | HPGDNPSR1AURKARAB9APOLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130131075-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-23 | — | — | US | disclosed |
| US-20130131075-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-23 | — | — | US | disclosed |
| US-20100240669-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| US-20100240669-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| US-20100240669-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | 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 (2 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-20130131075-A1 | NEW COMPOUNDS | ADORA1, H1-10, P2RY11 | CYP1A2 892/4885CYP2C19 136/4885SMN1; SMN2 4025/4885 |
| US-20100240669-A1 | NEW COMPOUNDS | ADORA1, H1-10, P2RY11 | CYP1A2 892/4885CYP2C19 136/4885SMN1; SMN2 4025/4885 |
“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.