Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL6583159 | 0.96 | HIF1A (0.46) | HIF1AALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18306578 | 0.81 | POLB (0.51) | HIF1AALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8315846 | 0.81 | HTR3A (0.49) | — | |
| SCHEMBL6583086 | 0.78 | GRM2 (0.61) | ALDH1A1LMNAMAPTNPSR1KDM4E | |
| SCHEMBL8313269 | 0.78 | HTR3A (0.53) | — | |
| SCHEMBL6586477 | 0.77 | MEN1 (0.54) | ALDH1A1MEN1KMT2ALMNATSHR | |
| SCHEMBL6962681 | 0.74 | POLB (0.47) | ALDH1A1MEN1KMT2ALMNATSHR | |
| SCHEMBL6585574 | 0.72 | GRM2 (0.67) | ALDH1A1LMNAMAPTNPSR1KDM4E | |
| SCHEMBL14602996 | 0.72 | LMNA (0.61) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7481715 | 0.71 | GRM2 (0.65) | ALDH1A1LMNAMAPTNPSR1KDM4E |
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-0957100-B1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | KOWA CO (JP) | 2004-10-27 | — | — | EP | disclosed |
| EP-0957100-A1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | Kowa Co., Ltd. (JP) | 1999-11-17 | — | — | EP | disclosed |