Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | CA4 | P22748 | 1/20 | 0.63 |
| ▸ | CA6 | P23280 | 1/20 | 0.63 |
| ▸ | CA7 | P43166 | 1/20 | 0.63 |
| ▸ | TPMT | P51580 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956653 | 0.84 | ALDH1A1 (0.50) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16956662 | 0.84 | TSHR (0.70) | TSHRALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL16950685 | 0.84 | PDE4A (0.64) | TSHRALDH1A1HPGDSMN1; SMN2PDE4A | |
| SCHEMBL27917074 | 0.84 | CA12 (0.67) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16959609 | 0.82 | KDM4E (0.55) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16955021 | 0.82 | CYP2C9 (0.47) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL20082281 | 0.82 | CYP2C9 (0.61) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL8296526 | 0.82 | CYP2C9 (0.61) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL9781811 | 0.82 | TSHR (0.61) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 | |
| SCHEMBL16950467 | 0.82 | ALOX15 (0.56) | CYP2C9CYP2C19TSHRCYP1A2CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3976695-A | Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols | SMITHKLINE CORPORATION (US) | 1976-08-24 | — | — | US | claimed |
| CN-105668766-B | Heavy-metal ion removal equipment and its minimizing technology in a kind of trade effluent | 徐州工程学院 | 2018-02-02 | — | — | CN | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| US-6770650-B2 | CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA | SYNTEX (U.S.A.) LLC | 2004-08-03 | — | — | US | disclosed |
| US-6323223-B1 | CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. | SYNTEX (U.S.A.) LLC | 2001-11-27 | — | — | US | disclosed |
| CN-1040366-A | Butenoic acid or acrylic acid derivative | EISAI CO LTD (JP) | 1990-03-14 | — | — | CN | disclosed |
| US-3976694-A | BETA-ADRENERGIC STIMULANT, BRONCHODILATOR | SMITHKLINE CORPORATION (US) | 1976-08-24 | — | — | US | disclosed |
| US-3961076-A | BRONCHODILATORS | SMITHKLINE CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |