Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11540241 | 0.96 | CYP19A1 (0.51) | CYP19A1HSD17B10CHRM2HTR1AADRA2A | |
| SCHEMBL11538981 | 0.84 | GAA (0.43) | CYP19A1CHRM2ADRA2ACHRM1DRD1 | |
| SCHEMBL11540954 | 0.81 | CYP19A1 (0.44) | CYP19A1HSD17B10L3MBTL1ADRA1AKCNH2 | |
| SCHEMBL11537434 | 0.81 | CYP19A1 (0.43) | CYP19A1L3MBTL1CYP2D6OPRM1OPRK1 | |
| SCHEMBL11539967 | 0.76 | CYP19A1 (0.44) | CYP19A1OPRM1OPRK1OPRD1OPRL1 | |
| SCHEMBL11545249 | 0.75 | ACP3 (0.46) | CYP19A1SLC6A3CYP2D6TSHROPRM1 | |
| SCHEMBL9524860 | 0.75 | HSD17B10 (0.41) | HSD17B10L3MBTL1DRD3CYP2D6TSHR | |
| SCHEMBL4212713 | 0.68 | F10 (0.56) | L3MBTL1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL1106502 | 0.67 | MAPT (0.38) | HSD17B10L3MBTL1TSHRCYP2C19TDP1 | |
| SCHEMBL10587078 | 0.67 | PTGS2 (0.42) | — |
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-4138488-A | Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents | SCHERING CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |