Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL30500141 | 0.93 | — | — | |
| SCHEMBL91449 | 0.93 | — | — | |
| Formaldehyde SCHEMBL27955098 | 0.74 | LOXL2 (0.43) | LOXL2PTGS2RPS6KA3NUDT1 | |
| SCHEMBL2425486 | 0.73 | — | — | |
| Formaldehyde SCHEMBL27932784 | 0.73 | TDP1 (0.48) | SIRT3TDP1CYP1A2CYP2E1CYP3A4 | |
| Formaldehyde SCHEMBL29175656 | 0.73 | SIRT3 (0.44) | SIRT3TDP1PTGS2TDO2CYP1A2 | |
| Formaldehyde SCHEMBL28563346 | 0.73 | LOXL2 (0.42) | TDP1LOXL2PTGS2CYP3A4NUDT1 | |
| SCHEMBL29518741 | 0.69 | — | — | |
| SCHEMBL64272 | 0.69 | — | — | |
| SCHEMBL29470901 | 0.69 | — | — |
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-105294701-A | Cyclic P1 linkers as factor XIA inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-03 | — | — | CN | disclosed |
| CN-103702999-B | Cyclic P1 linkers as factor XIA inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2015-11-25 | — | — | CN | disclosed |