Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15050026 | 0.84 | NOS2 (0.48) | ALDH1A1NOS2TSHRKDM4EGAA | |
| SCHEMBL10830808 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP1A2CYP2A6CA1 | |
| SCHEMBL9630715 | 0.82 | ALDH1A1 (0.50) | ALDH1A1NOS2TSHRDHFRGABRA1 | |
| Ammonia Solution, Strong SCHEMBL14719473 | 0.81 | NOS2 (0.47) | ALDH1A1NOS2TSHRKDM4EGAA | |
| SCHEMBL6911045 | 0.81 | TAAR1 (0.47) | ALDH1A1CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL28711794 | 0.79 | NOS2 (0.45) | ALDH1A1NOS2TSHRKDM4EGAA | |
| SCHEMBL9045995 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2A6CA1CA2 | |
| SCHEMBL533943 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4ECYP1A2CYP2A6 | |
| SCHEMBL19448542 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP1A2GRM2 | |
| SCHEMBL6217138 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRGABRA1GABRB2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2413941-A1 | RENIN INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |