Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.67 |
| ▸ | TACR1 | P25103 | 15/20 | 0.67 |
| ▸ | TACR3 | P29371 | 8/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | CCR5 | P51681 | 2/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5677576 | 0.89 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088993 | 0.89 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6544551 | 0.87 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7132390 | 0.87 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6951866 | 0.86 | TACR2 (0.62) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088856 | 0.86 | TACR2 (0.68) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088860 | 0.86 | TACR2 (0.68) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7751540 | 0.86 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8347399 | 0.85 | TACR2 (0.63) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6950742 | 0.85 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6124319-A | TREATING INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES, INCLUDING ASTHMA AND ALLERGIC DISEASES, AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS | MERCK & CO., INC. (US) | 2000-09-26 | — | — | US | disclosed |
| US-5807865-A | 3,3-disubstituted piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1998-09-15 | — | — | US | disclosed |