Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.50 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.49 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL9754604 | 0.81 | AHR (0.44) | AHRALKBH5FTOALDH1A1IMPDH2 | |
| SCHEMBL18069040 | 0.79 | ALKBH5 (0.67) | AHRALKBH5FTOALDH1A1GPR3 | |
| SCHEMBL13564071 | 0.78 | GPR3 (0.71) | ALKBH5FTOALDH1A1GPR3KDM4E | |
| SCHEMBL9540071 | 0.77 | ALDH1A1 (0.49) | AHRALDH1A1IMPDH2GPR3KDM4E | |
| SCHEMBL30807999 | 0.76 | KDM4E (0.66) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| SCHEMBL8978585 | 0.74 | ALDH1A1 (0.50) | AHRALKBH5FTOALDH1A1IMPDH2 | |
| SCHEMBL5657399 | 0.74 | ALKBH5 (0.56) | AHRALKBH5FTOALDH1A1IMPDH2 | |
| SCHEMBL9754591 | 0.74 | ALKBH5 (0.44) | AHRALKBH5FTOALDH1A1IMPDH2 | |
| SCHEMBL12249910 | 0.74 | ALKBH5 (0.55) | AHRALKBH5FTOALDH1A1GPR3 | |
| SCHEMBL3423943 | 0.73 | GPR3 (0.71) | ALKBH5FTOALDH1A1GPR3KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |