Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10902226 | 0.85 | KMT2A (0.53) | ALDH1A1POLBMAPTPKMNPSR1 | |
| SCHEMBL10891503 | 0.85 | CA1 (0.53) | ALDH1A1METAP2POLBMAPTPKM | |
| SCHEMBL10893997 | 0.82 | ALDH1A1 (0.40) | ALDH1A1METAP2POLBMAPTKDM4E | |
| SCHEMBL10897197 | 0.81 | ALDH1A1 (0.48) | ALDH1A1METAP2POLBMAPTPKM | |
| SCHEMBL10887855 | 0.81 | ALDH1A1 (0.38) | ALDH1A1METAP2POLBMAPTKDM4E | |
| SCHEMBL10895162 | 0.81 | CA1 (0.38) | ALDH1A1POLBMAPTKDM4ECA1 | |
| SCHEMBL10894909 | 0.81 | METAP2 (0.43) | ALDH1A1METAP2MAPTRAB9A | |
| SCHEMBL10904969 | 0.81 | KMT2A (0.51) | POLBNPSR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10894767 | 0.80 | GAA (0.51) | ALDH1A1METAP2POLBMAPTPKM | |
| SCHEMBL10902421 | 0.78 | KMT2A (0.53) | POLBNPSR1CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4588810-A | Basic triphendioxazine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-13 | — | — | US | disclosed |