Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYNU | Q16719 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 5/20 | 0.45 |
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | CTSB | P07858 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27835436 | 0.92 | KYNU (0.43) | KYNUCTSKCTSLCTSSCTSB | |
| Tert-Butyl Formate SCHEMBL28816504 | 0.84 | CTSL (0.42) | KYNUCTSKCTSLCTSSCTSB | |
| SCHEMBL28816481 | 0.81 | KYNU (0.44) | KYNUCTSKCTSLCTSSCTSB | |
| SCHEMBL478951 | 0.81 | KYNU (0.44) | KYNUCTSKCTSLCTSS | |
| SCHEMBL27835434 | 0.81 | KYNU (0.44) | KYNUCTSKCTSLCTSSCTSB | |
| SCHEMBL480359 | 0.78 | SYK (0.61) | KYNUCTSKCTSLCTSSCTSB | |
| Tert-Butyl Formate SCHEMBL27998436 | 0.78 | ITGB3 (0.50) | KYNUCTSKCTSLCTSBCASP1 | |
| SCHEMBL478463 | 0.77 | ACKR3 (0.46) | CTSKCTSLCTSSCTSB | |
| SCHEMBL478461 | 0.77 | ACKR3 (0.46) | CTSKCTSLCTSSCTSB | |
| SCHEMBL28816503 | 0.77 | CTSK (0.42) | KYNUCTSKCTSLCTSSCTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2265601-A1 | PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009114677-A1 | PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-17 | — | — | WO | disclosed |