Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11361275 | 0.77 | HTT (0.57) | HTTMAPTKDM4EALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11360548 | 0.76 | HTT (0.56) | HTTMAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL9423837 | 0.72 | MAPT (0.38) | HTTMAPTKDM4EALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL11364612 | 0.71 | HTT (0.54) | HTTMAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL11464701 | 0.71 | KDM4E (0.56) | HTTMAPTKDM4EALDH1A1POLB | |
| SCHEMBL9424129 | 0.71 | TLR8 (0.34) | CCR2CCR5 | |
| SCHEMBL11363269 | 0.70 | HTT (0.59) | HTTMAPTKDM4EALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11365039 | 0.70 | KDM4E (0.55) | HTTMAPTKDM4EALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL11369573 | 0.69 | HTT (0.57) | HTTMAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL9423387 | 0.69 | HPGD (0.35) | CCR2CCR5KDM4EALDH1A1HPGD |
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-5324729-A | Hypotensive agents | MERCK & CO., INC. (US) | 1994-06-28 | — | — | US | disclosed |
| US-5166206-A | Hypotensive agents, central nervous system disorders, glaucoma or angiotensin antagonist | MERCK & CO., INC. (US) | 1992-11-24 | — | — | US | disclosed |
| WO-1991015209-A1 | SUBSTITUTED PYRIMIDINES, PYRIMIDINONES AND PYRIDOPYRIMIDINES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |