Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 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 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL18952114 | 0.94 | MMP2 (0.40) | SLC18A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28426623 | 0.84 | MEN1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28428823 | 0.84 | SIGMAR1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18952149 | 0.78 | SLC6A4 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2021082 | 0.72 | CYP1A2 (0.44) | SLC18A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14209227 | 0.72 | HTR2A (0.57) | SIGMAR1HTR2AALDH1A1KMT2ASLC6A4 | |
| SCHEMBL28496737 | 0.71 | KDM1A (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9195769 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6L3MBTL1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8976093 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6L3MBTL1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9195452 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6L3MBTL1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105283177-B | Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A | 欧洲肿瘤研究所有限责任公司 | 2020-07-24 | — | — | CN | claimed |
| CN-105283177-B | Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A | 欧洲肿瘤研究所有限责任公司 | 2020-07-24 | — | — | CN | disclosed |