Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL4379341 | 0.81 | CYP1B1 (0.49) | MEN1KMT2ACASP1USP2GABRA1 | |
| SCHEMBL13671328 | 0.81 | MEN1 (0.60) | TYMSMEN1KMT2ACASP1USP2 | |
| SCHEMBL3259476 | 0.81 | GABRA1 (0.46) | TYMSGABRA1GABRB2HPGDKDM4E | |
| SCHEMBL461208 | 0.81 | GABRA1 (0.46) | MEN1KMT2AGABRA1GABRB2HPGD | |
| SCHEMBL11498102 | 0.81 | GABRA1 (0.50) | MEN1KMT2AGABRA1GABRB2HPGD | |
| SCHEMBL10582948 | 0.79 | CASP3 (0.55) | MEN1KMT2AGABRA1GABRB2HPGD | |
| SCHEMBL17316887 | 0.76 | ESR1 (0.37) | TYMSMEN1KMT2ACASP1USP2 | |
| SCHEMBL4543868 | 0.74 | KDM4E (0.53) | TYMSMEN1KMT2ACASP1USP2 | |
| SCHEMBL28327357 | 0.74 | TDP1 (0.54) | TYMSGABRA1GABRB2HPGDMAPT | |
| SCHEMBL28020733 | 0.74 | TYMS (0.46) | TYMSMEN1KMT2ACASP1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009118596-A2 | PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S. A. (CH) | 2009-10-01 | — | — | WO | disclosed |