Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.37 |
| ▸ | SELE | P16581 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7228254 | 0.76 | ALDH1A1 (0.38) | ALDH1A1ICAM1SELECYP1A2CYP3A4 | |
| SCHEMBL7228451 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ICAM1SELEHTTKMT2A | |
| SCHEMBL30015148 | 0.68 | — | — | |
| SCHEMBL1970475 | 0.68 | — | — | |
| SCHEMBL47860 | 0.68 | ALDH1A1 (0.50) | ALDH1A1ICAM1SELECYP1A2CYP3A4 | |
| SCHEMBL30832958 | 0.68 | ALDH1A1 (0.50) | ALDH1A1ICAM1SELECYP1A2CYP3A4 | |
| SCHEMBL20345294 | 0.66 | ALDH1A1 (0.53) | ALDH1A1ICAM1SELECYP1A2CYP3A4 | |
| SCHEMBL11455389 | 0.65 | CYP3A4 (0.61) | ALDH1A1CYP1A2CYP3A4HTR1ACYP2D6 | |
| SCHEMBL12792051 | 0.64 | HTR1A (0.54) | ALDH1A1ICAM1SELECYP1A2CYP3A4 | |
| SCHEMBL11947061 | 0.64 | MAPT (0.49) | ALDH1A1ICAM1SELECYP1A2CYP3A4 |
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-6583138-B1 | Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa | EISAI CO., LTD. (JP) | 2003-06-24 | — | — | US | disclosed |
| EP-1057830-A1 | HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |