Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.38 |
| ▸ | STK17B | O94768 | 1/20 | 0.38 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 2/20 | 0.35 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30189966 | 1.00 | CA12 (0.40) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL30189931 | 0.88 | IKBKB (0.42) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL19783605 | 0.88 | IKBKB (0.42) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL22341973 | 0.86 | IKBKB (0.42) | IKBKBLMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21395510 | 0.80 | CA12 (0.45) | CA12CA1CA2CA9STK17B | |
| SCHEMBL30189776 | 0.80 | CA12 (0.45) | CA12CA1CA2CA9STK17B | |
| SCHEMBL30189803 | 0.78 | F2RL3 (0.48) | CYP3A4 | |
| SCHEMBL31113971 | 0.78 | F2RL3 (0.48) | CYP3A4 | |
| SCHEMBL19783132 | 0.78 | F2RL3 (0.48) | CYP3A4 | |
| SCHEMBL22917487 | 0.74 | STK17B (0.49) | CA12CA1CA2CA9STK17B |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |