Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7295654 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2C9ALPLTSHRPIN1 | |
| SCHEMBL4409880 | 0.84 | CTSC (0.32) | TSHRCYP3A4CYP2C19LMNA | |
| SCHEMBL9724957 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9HDAC8CYP3A4CYP2C19 | |
| SCHEMBL10827295 | 0.83 | PIN1 (0.56) | CYP1A2CYP2C9ALPLTSHRPIN1 | |
| SCHEMBL7292510 | 0.83 | CTSL (0.40) | CYP1A2 | |
| SCHEMBL7292514 | 0.83 | CTSL (0.40) | CYP1A2 | |
| SCHEMBL7293294 | 0.83 | MMP1 (0.39) | — | |
| SCHEMBL7293298 | 0.83 | MMP1 (0.39) | — | |
| SCHEMBL9724951 | 0.82 | KMT2A (0.46) | CYP1A2TSHRHPGDALOX15TDP1 | |
| SCHEMBL7287009 | 0.81 | MMP2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0264106-B1 | 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use | BANYU PHARMA CO LTD (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-4851387-A | RENIN INHIBITORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-07-25 | — | — | US | disclosed |
| EP-0264106-A2 | 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use | Banyu Pharmaceutical Co., Ltd. (JP) | 1988-04-20 | — | — | EP | disclosed |