Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 4/20 | 0.40 |
| ▸ | CD74 | P04233 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | HTR7 | P34969 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CBX7 | O95931 | 1/20 | 0.38 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.38 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.38 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9716043 | 0.87 | CYP2A6 (0.46) | CYP2A6POLBTDP1HPGD | |
| SCHEMBL9715954 | 0.82 | POLB (0.39) | MIFCD74POLBHPGD | |
| SCHEMBL9715930 | 0.80 | IDO1 (0.37) | MIFCD74POLBHPGD | |
| SCHEMBL9715956 | 0.80 | IDO1 (0.38) | MIFPOLBHPGD | |
| SCHEMBL9715982 | 0.80 | ALDH1A1 (0.43) | MIFPOLBHPGD | |
| SCHEMBL9715962 | 0.79 | GAA (0.39) | CYP2A6MIFCD74HTR1AHTR7 | |
| SCHEMBL9715979 | 0.76 | KMO (0.46) | MIFCD74CBX7CDYL2CDYL | |
| SCHEMBL9715967 | 0.75 | MEN1 (0.36) | MIFTDP1HPGD | |
| SCHEMBL536696 | 0.73 | MAPK1 (0.62) | MIFPOLBHPGD | |
| SCHEMBL9715940 | 0.71 | KMO (0.58) | MIFCD74POLBCBX7CDYL2 |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |