Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5428376 | 0.83 | ALDH1A1 (0.51) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| SCHEMBL27935564 | 0.81 | HTR2A (0.54) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| SCHEMBL28205347 | 0.80 | ALDH1A1 (0.49) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| 3,3-Diphenylpropanoic Acid SCHEMBL5283373 | 0.80 | GABBR2 (0.59) | GABBR2GABBR1MAPTCYP2C19HPGD | |
| 3,3-Diphenylpropanoic Acid SCHEMBL66473 | 0.80 | GABBR2 (0.59) | GABBR2GABBR1MAPTCYP2C19HPGD | |
| SCHEMBL28743174 | 0.79 | HPGD (0.62) | ALDH1A1GAAKMT2ATDP1ALOX15 | |
| SCHEMBL16824139 | 0.79 | ALDH1A1 (0.47) | ALDH1A1GAAKMT2ATDP1KDM4E | |
| SCHEMBL28062031 | 0.78 | HPGD (0.51) | GAAKMT2AGABBR2GABBR1MAPT | |
| 3,3-Diphenylpropanoic Acid SCHEMBL28079188 | 0.78 | GABBR2 (0.57) | GABBR2GABBR1MAPTCYP2C19HPGD | |
| 3,3-Diphenylpropanoic Acid SCHEMBL9100138 | 0.78 | GABBR2 (0.57) | GABBR2GABBR1MAPTCYP2C19HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541202-A | New leukotriene-B4 Antagonists and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCAFT (DE) | 1996-07-30 | — | — | US | disclosed |
| US-5352701-A | Leukotriene-B4 antagonist compounds and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-10-04 | — | — | US | disclosed |