Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.43 |
| ▸ | IDE | P14735 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.39 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5852245 | 0.99 | ALDH1A1 (0.43) | ALDH1A1AKR1C3IDEKDM4EHPGD | |
| SCHEMBL3853295 | 0.87 | IDE (0.42) | ALDH1A1IDEMAPTPDGFRBCLK1 | |
| SCHEMBL3847156 | 0.86 | AKR1C3 (0.43) | ALDH1A1AKR1C3KDM4EHPGDHSD17B10 | |
| SCHEMBL3852919 | 0.85 | MEN1 (0.46) | ALDH1A1IDEMAPTPDGFRBACVR1 | |
| Hydrochloric Acid SCHEMBL3853045 | 0.83 | MTNR1B (0.46) | IDEKDM4EMAPTPDGFRBKIT | |
| SCHEMBL3851448 | 0.82 | NCF1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL3852118 | 0.81 | DPP4 (0.41) | IDEPDGFRBPIK3CANCF1 | |
| Hydrochloric Acid SCHEMBL5852112 | 0.81 | NCF1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| Hydrochloric Acid SCHEMBL3856136 | 0.80 | PDGFRB (0.56) | KDM4EGAAMAPTPDGFRB | |
| SCHEMBL3854528 | 0.80 | DPP4 (0.40) | IDEPIK3CACLK1NCF1PIK3CD |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |