Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH1C | P00326 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL8252 | 0.84 | CYP3A4 (0.52) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| Benzaldehyde SCHEMBL7800457 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ADH1BADH1CADH1A | |
| Bromide SCHEMBL28406943 | 0.82 | CYP3A4 (0.50) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| Hydrochloric Acid SCHEMBL27904367 | 0.82 | MAPT (0.56) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| Benzaldehyde SCHEMBL10666305 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP2A6ADH1BADH1CADH1A | |
| Naphthalene SCHEMBL9463547 | 0.79 | CYP3A4 (0.46) | MEN1KMT2ATDP1KDM4ECYP3A4 | |
| Carbamic Acid SCHEMBL28177752 | 0.78 | MAPT (0.49) | ALDH1A1MEN1KMT2AMAPTCA1 | |
| Benzaldehyde SCHEMBL5859019 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP2A6ADH1BADH1CADH1A | |
| SCHEMBL28377529 | 0.77 | CYP3A4 (0.45) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| Benzaldehyde SCHEMBL28430047 | 0.76 | ALDH1A1 (0.78) | ALDH1A1CYP2A6MAOAMAOBKMT2A |
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-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |