Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | POLB | P06746 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7240015 | 1.00 | CYP1B1 (0.52) | CYP1B1MEN1KMT2APOLBMAPT | |
| SCHEMBL9264709 | 0.85 | MAPT (0.58) | MEN1KMT2AMAPTLMNACES2 | |
| SCHEMBL9744529 | 0.85 | KMT2A (0.55) | CYP1B1MEN1KMT2APOLBMAPT | |
| SCHEMBL7813612 | 0.84 | AKR1C1 (0.66) | CYP1B1MEN1KMT2APOLBMAPT | |
| SCHEMBL7813609 | 0.84 | AKR1C1 (0.66) | CYP1B1MEN1KMT2APOLBMAPT | |
| SCHEMBL15777306 | 0.84 | AKR1C1 (0.66) | CYP1B1MEN1KMT2APOLBMAPT | |
| SCHEMBL11743667 | 0.83 | AKR1C1 (0.63) | MEN1KMT2APOLBMAPTLMNA | |
| SCHEMBL4007167 | 0.83 | AKR1C1 (0.63) | MEN1KMT2APOLBMAPTLMNA | |
| SCHEMBL4007174 | 0.83 | AKR1C1 (0.63) | MEN1KMT2APOLBMAPTLMNA | |
| SCHEMBL28907409 | 0.81 | MAPT (0.54) | CYP1B1MEN1KMT2APOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |