Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.38 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17806585 | 0.82 | CREBBP (0.40) | TP53CREBBPBRD4PIK3CDPIK3CA | |
| SCHEMBL17809810 | 0.81 | CREBBP (0.39) | ALDH1A1CREBBPBRD4PIK3CDPIK3CA | |
| SCHEMBL22165237 | 0.81 | PIK3CD (0.55) | ALDH1A1TP53CYP3A4TDP1CREBBP | |
| SCHEMBL28511565 | 0.81 | PIK3CD (0.44) | ALDH1A1PIK3CDPIK3CAPIK3CGPIP5K1C | |
| SCHEMBL30640940 | 0.81 | PIK3CD (0.44) | ALDH1A1PIK3CDPIK3CAPIK3CGPIP5K1C | |
| SCHEMBL18520131 | 0.80 | ALOX5AP (0.44) | CREBBPBRD4PIK3CDPIK3CAPIK3CG | |
| SCHEMBL20456818 | 0.77 | DRD1 (0.45) | ALDH1A1CREBBPBRD4KDM4ESMN1; SMN2 | |
| SCHEMBL30888279 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1BRD4PIK3CD | |
| SCHEMBL23535770 | 0.76 | BCL2L1 (0.46) | TP53CREBBPBRD4HSD17B10KDM4E | |
| SCHEMBL30695445 | 0.74 | DYRK1A (0.45) | PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA |
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-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |