Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL13002492 | 0.85 | TSHR (0.52) | ALDH1A1MAPTPOLBGABRA1GABRG2 | |
| SCHEMBL11089219 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MAPTPOLBGABRA1GABRG2 | |
| SCHEMBL21883260 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPTPOLBGABRA1GABRG2 | |
| SCHEMBL4896547 | 0.74 | CASP1 (0.51) | KMT2AALDH1A1MAPTGABRA1GABRG2 | |
| SCHEMBL11093483 | 0.73 | GABRA1 (0.43) | KMT2AALDH1A1MAPTGABRA1GABRG2 | |
| SCHEMBL7979164 | 0.73 | ALDH1A1 (0.56) | KMT2AALDH1A1MAPTPOLBGABRA1 | |
| SCHEMBL2705285 | 0.73 | TSHR (0.45) | ALDH1A1MAPTPOLBGABRA1GABRG2 | |
| Hydrochloric Acid SCHEMBL5900879 | 0.72 | CASP1 (0.50) | KMT2AGABRA1GABRG2GABRB3GABRB2 | |
| SCHEMBL11440102 | 0.71 | KDM4E (0.42) | KMT2AALDH1A1MAPTPOLBATM | |
| SCHEMBL11086593 | 0.71 | CA2 (0.50) | KMT2AALDH1A1MAPTPOLBCA2 |
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-0018100-B1 | SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-01-18 | — | — | EP | disclosed |