Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.44 |
| ▸ | NOS2 | P35228 | 4/20 | 0.44 |
| ▸ | NOS3 | P29474 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104262 | 0.90 | NOS1 (0.45) | NOS1NOS2NOS3TP53CYP1A2 | |
| SCHEMBL10104304 | 0.82 | NOS1 (0.44) | NOS1NOS2MEN1KMT2ATACR1 | |
| SCHEMBL10104261 | 0.79 | NOS1 (0.43) | NOS1NOS2TACR1GAARAPGEF4 | |
| SCHEMBL15122582 | 0.79 | CTSK (0.36) | NOS1NOS2TP53CYP1A2CYP2D6 | |
| SCHEMBL10104415 | 0.79 | TACR1 (0.45) | NOS1NOS2NOS3KCNH2CCR2 | |
| SCHEMBL15131546 | 0.78 | TEK (0.44) | TEKMEN1KMT2ACCR2TACR1 | |
| Hydrochloric Acid SCHEMBL15122987 | 0.77 | TEK (0.43) | TEKMEN1KMT2ACCR2TACR1 | |
| SCHEMBL14228532 | 0.75 | RAPGEF4 (0.40) | NOS1NOS2TSHRMAPTTACR1 | |
| SCHEMBL10104324 | 0.75 | NOS1 (0.40) | NOS1NOS2SLC6A4SLC6A3CCR2 | |
| SCHEMBL10104372 | 0.74 | TP53 (0.36) | TP53CYP1A2CYP2D6NPC1ABCB11 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889665-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-8653087-B2 | Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | 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 (3 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-20110183952-A1 | NEW CHEMICAL COMPOUNDS | MKI67, CCNA1, CCNT1 | NOS1 127/4885NOS2 392/4885NOS3 403/4885 |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | NOS1 676/4885NOS2 1534/4885NOS3 545/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | NOS1 2364/4885NOS2 3523/4885NOS3 3139/4885 |
“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.