Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| Triphenylmethanol SCHEMBL700 | 1.00 | CYP19A1 (0.50) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL456603 | 1.00 | CYP19A1 (0.50) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL1101236 | 0.97 | CYP1A2 (0.50) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9050608 | 0.97 | CYP19A1 (0.54) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL1565321 | 0.97 | CYP19A1 (0.48) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL29446231 | 0.97 | CYP19A1 (0.48) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL28378880 | 0.94 | CYP1A2 (0.48) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL6057181 | 0.94 | CYP19A1 (0.48) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Triphenylmethanol SCHEMBL19583303 | 0.91 | CYP1A2 (0.47) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL21842336 | 0.88 | CYP2C9 (0.54) | CYP19A1CYP1A2CYP2C9CYP2C19ALDH1A1 |
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-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |