Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | YES1 | P07947 | 1/20 | 0.36 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14097686 | 0.88 | ABL1 (0.40) | ABL1MAPK1AURKBPIM1YES1 | |
| SCHEMBL14097687 | 0.87 | MAPK8 (0.41) | ABL1MAPK1AURKBPIM1YES1 | |
| SCHEMBL14097698 | 0.86 | ABL1 (0.39) | ABL1MAPK1AURKBPIM1YES1 | |
| SCHEMBL14395390 | 0.86 | ABL1 (0.41) | ABL1 | |
| SCHEMBL14097697 | 0.81 | PIK3CA (0.36) | ABL1MAPK1AURKBPIM1YES1 | |
| SCHEMBL14097693 | 0.78 | ABL1 (0.43) | ABL1 | |
| SCHEMBL14097684 | 0.74 | ABL1 (0.41) | ABL1 | |
| SCHEMBL14097688 | 0.73 | ABL1 (0.49) | ABL1MAPK1AURKBYES1HIPK1 | |
| SCHEMBL14097699 | 0.73 | TP53 (0.31) | — | |
| SCHEMBL14097711 | 0.71 | ABL1 (0.49) | ABL1MAPK1PIK3CAMAPK8MAPK9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |