Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24603048 | 0.96 | KCNH2 (0.51) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL1338721 | 0.91 | KCNH2 (0.41) | KCNH2TAAR1 | |
| SCHEMBL21899558 | 0.90 | KCNH2 (0.49) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL22007381 | 0.89 | KCNH2 (0.53) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL9008786 | 0.88 | KCNH2 (0.59) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL20234296 | 0.87 | KCNH2 (0.56) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL12299452 | 0.84 | KCNH2 (0.53) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL12037019 | 0.84 | TAAR1 (0.50) | KCNH2CYP2A6TAAR1MAPT | |
| SCHEMBL16151476 | 0.82 | KCNH2 (0.62) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL13639151 | 0.81 | KCNH2 (0.58) | KCNH2CYP1A2CYP2A6TAAR1DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7226950-B2 | Sodium channel modulators | THERAVANCE, INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |