Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6426764 | 0.78 | KMO (0.40) | KMOCYP3A4CALCRLLMNACYP1A2 | |
| SCHEMBL4586263 | 0.77 | CYP3A4 (0.34) | KMOCYP3A4CALCRLGRM5 | |
| SCHEMBL3592115 | 0.77 | ALDH1A1 (0.37) | KMOCYP3A4CALCRLGRM5ALDH1A1 | |
| SCHEMBL3592112 | 0.77 | ALDH1A1 (0.37) | KMOCYP3A4CALCRLGRM5ALDH1A1 | |
| SCHEMBL5512753 | 0.73 | KMO (0.39) | KMOLMNACYP1A2ADRA2ATSHR | |
| SCHEMBL5074233 | 0.73 | KMO (0.39) | KMOLMNACYP1A2ADRA2ATSHR | |
| SCHEMBL4593261 | 0.73 | CALCRL (0.48) | CYP3A4CALCRL | |
| SCHEMBL10884762 | 0.72 | KMO (0.50) | KMOLMNACYP1A2ADRA2ATSHR | |
| Hydrochloric Acid SCHEMBL5513581 | 0.71 | KMO (0.37) | KMOCYP3A4LMNACYP1A2ADRA2A | |
| SCHEMBL14510182 | 0.70 | KMO (0.36) | KMOCYP3A4LMNACYP1A2ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1381598-A4 | NOVEL TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-03-19 | — | — | EP | disclosed |
| EP-1545543-A2 | NOVEL TYROSINE KINASES INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004031401-A2 | NOVEL TYROSINE KINASES INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |
| EP-1381598-A1 | NOVEL TYROSINE KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002079192-A1 | NOVEL TYROSINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-10 | — | — | WO | disclosed |