Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11613661 | 0.90 | ALDH1A1 (0.64) | ALDH1A1AKR1C3AKR1C2AKR1C1KMT2A | |
| SCHEMBL7567049 | 0.86 | CYP1A1 (0.63) | ALDH1A1AKR1C3AKR1C2AKR1C1KMT2A | |
| SCHEMBL7567058 | 0.86 | CYP1A1 (0.63) | ALDH1A1AKR1C3AKR1C2AKR1C1KMT2A | |
| SCHEMBL2357484 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KMT2ACYP1A2MEN1SMN1; SMN2 | |
| SCHEMBL3233599 | 0.78 | NFE2L2 (0.48) | ALDH1A1CYP1A2CYP1A1CYP1B1NPC1 | |
| Methylphenylsulfide SCHEMBL4902407 | 0.76 | — | — | |
| Methylphenylsulfide SCHEMBL27951695 | 0.76 | MAPT (0.53) | ALDH1A1AKR1C3AKR1C2AKR1C1KMT2A | |
| Methylphenylsulfide SCHEMBL1332325 | 0.76 | — | — | |
| Methylphenylsulfide SCHEMBL27970000 | 0.76 | MAPT (0.53) | ALDH1A1AKR1C3AKR1C2AKR1C1KMT2A | |
| Methylphenylsulfide SCHEMBL7584 | 0.76 | — | — |
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-5661106-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-26 | — | — | US | disclosed |