Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | PARP1 | P09874 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25871002 | 0.82 | CYP1A2 (0.49) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20321370 | 0.82 | CYP1A2 (0.49) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL24659011 | 0.75 | CNR1 (0.50) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8529995 | 0.73 | KDM4E (0.66) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11546486 | 0.73 | KDM4E (0.64) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL24658989 | 0.73 | CNR1 (0.45) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28798661 | 0.70 | PARP1 (0.44) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL22866668 | 0.70 | CDK4 (0.47) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL29561113 | 0.70 | CDK4 (0.47) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28798580 | 0.70 | KDM4E (0.46) | CYP1A2PARP1KDM4EALDH1A1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018112842-A1 | 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |