Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | IL6 | P05231 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | YES1 | P07947 | 1/20 | 0.39 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL14097679 | 0.84 | ABL1 (0.59) | ABL1HDAC6RAB9APIK3CAHDAC1 | |
| SCHEMBL14097706 | 0.80 | ABL1 (0.49) | ABL1PIK3CAMAPK1AURKBYES1 | |
| SCHEMBL14097682 | 0.78 | ABL1 (0.60) | ABL1HDAC6RAB9AMAPK1 | |
| SCHEMBL14097709 | 0.74 | PIK3CA (0.53) | ABL1HDAC6PIK3CA | |
| SCHEMBL14097692 | 0.73 | ABL1 (0.40) | ABL1PIK3CAMAPK1AURKBYES1 | |
| SCHEMBL14097700 | 0.71 | GAA (0.50) | ABL1HDAC6RAB9AIL6STAT3 | |
| SCHEMBL14097430 | 0.70 | ABL1 (0.63) | ABL1MAPK1 | |
| SCHEMBL14097499 | 0.70 | ABL1 (0.63) | ABL1 | |
| SCHEMBL14097424 | 0.69 | GSK3B (0.53) | ABL1GSK3BMAPK1AURKB | |
| SCHEMBL14097676 | 0.69 | SMN1; SMN2 (0.58) | HDAC6RAB9AMAPK1CETP |
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 |