Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5647636 | 0.88 | PDK1 (0.57) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9313991 | 0.85 | PDK1 (0.55) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9312693 | 0.84 | PDK1 (0.52) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9313566 | 0.84 | PDK1 (0.52) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL21225198 | 0.83 | CYP1A2 (0.51) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9313576 | 0.83 | PDK1 (0.49) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9313584 | 0.81 | HDAC1 (0.52) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL9314017 | 0.81 | HCRTR1 (0.52) | PDK1CYP1A2CYP2D6CYP2C19HCRTR1 | |
| SCHEMBL18773990 | 0.80 | MEN1 (0.55) | PDK1CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL30284283 | 0.78 | PDK1 (0.56) | PDK1CYP1A2CYP2D6CYP2C19HCRTR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE34770-E | 1-benzothiophene derivatives; side effect reduction | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1994-11-01 | — | — | US | disclosed |
| US-5334628-A | Amine derivatives, processes for preparing the same and fungicides containing the same | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1994-08-02 | — | — | US | disclosed |
| US-5200423-A | AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1993-04-06 | — | — | US | disclosed |
| US-5106866-A | Skin disorders | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-5021458-A | Amine derivatives and fungicides containing the same | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0164697-B1 | AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME | Kaken Pharmaceutical Co., Ltd. (JP) | 1990-11-07 | — | — | EP | disclosed |
| EP-0164697-A2 | Amine derivatives, processes for preparing the same and fungicides containing the same | Kaken Pharmaceutical Co., Ltd. (JP) | 1985-12-18 | — | — | EP | disclosed |