Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650225 | 0.98 | AURKA (0.34) | AURKAKDRHDAC6HDAC1TSHR | |
| SCHEMBL22807093 | 0.95 | — | — | |
| SCHEMBL3631373 | 0.90 | — | — | |
| SCHEMBL630634 | 0.74 | HDAC6 (0.41) | AURKAKDRHDAC6HDAC1TSHR | |
| Hydrochloric Acid SCHEMBL7988951 | 0.72 | HDAC6 (0.40) | AURKAKDRHDAC6HDAC1PARP1 | |
| SCHEMBL9825294 | 0.72 | JAK2 (0.41) | AURKAKDRHDAC1 | |
| SCHEMBL2088246 | 0.69 | ACMSD (0.38) | AURKAKDRHDAC6HDAC1 | |
| SCHEMBL31187621 | 0.67 | CHRNB4 (0.42) | TSHR | |
| SCHEMBL9419852 | 0.67 | HDAC6 (0.57) | AURKAKDRHDAC6HDAC1KDM4C | |
| SCHEMBL380666 | 0.65 | — | — |
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-3852746-A1 | CYCLOPENTYL ACIDS AS LPA ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2021-07-28 | — | — | EP | disclosed |
| WO-2020060915-A1 | CYCLOPENTYL ACIDS AS LPA ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-03-26 | — | — | WO | disclosed |