Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20924072 | 0.81 | NOTUM (0.50) | FYNNOTUMKDM1AESR1ESR2 | |
| SCHEMBL23601916 | 0.81 | NOTUM (0.44) | NOTUMKDM1AMETAP2 | |
| SCHEMBL530999 | 0.80 | KDM1A (0.61) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL526881 | 0.80 | KDM1A (0.61) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL6837456 | 0.80 | KDM1A (0.61) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL527285 | 0.80 | KDM1A (0.61) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL526880 | 0.80 | KDM1A (0.61) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL15137040 | 0.79 | KDM1A (0.60) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL15137039 | 0.79 | KDM1A (0.60) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL944471 | 0.78 | KDM1A (0.51) | FYNKDM1AHDAC6DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598480-B1 | CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS | ORYZON GENOMICS SA (ES) | 2019-04-24 | — | — | EP | disclosed |