Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789436 | 0.82 | HPGDS (0.51) | AKR1C3KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL7899970 | 0.82 | HPGDS (0.51) | AKR1C3KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL27367437 | 0.80 | DRD2 (0.52) | AKR1C3HRH4HRH3KDM4E | |
| SCHEMBL7899646 | 0.77 | HPGD (0.42) | AKR1C3SMN1; SMN2KDM4EHPGD | |
| SCHEMBL27710323 | 0.77 | AKR1C3 (0.41) | AKR1C3HRH4SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3640169 | 0.76 | AOC3 (0.44) | KDM4EMAPT | |
| SCHEMBL2520100 | 0.75 | HTR2B (0.61) | SMN1; SMN2POLBKDM4ECYP1A2CYP3A4 | |
| SCHEMBL2514536 | 0.75 | HTR2B (0.61) | SMN1; SMN2POLBKDM4ECYP1A2CYP3A4 | |
| SCHEMBL742415 | 0.75 | HTR2B (0.61) | SMN1; SMN2POLBKDM4ECYP1A2CYP3A4 | |
| Oxalic Acid SCHEMBL7859833 | 0.75 | MAOB (0.52) | HRH4HRH3KDM4EMAPTDAO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |