Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | TMPRSS4 | Q9NRS4 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3610741 | 0.81 | TSHR (0.58) | RAB9ACYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL32682192 | 0.81 | TSHR (0.58) | RAB9ACYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL15942955 | 0.78 | TSHR (0.52) | CYP1A2CYP2C19KDM4ESMN1; SMN2TSHR | |
| SCHEMBL15495141 | 0.74 | EPHX2 (0.45) | SMN1; SMN2MAPTARLMNAPGR | |
| SCHEMBL17145919 | 0.72 | MAPK1 (0.41) | RAB9ACYP1A2CYP2C19SMN1; SMN2MAPT | |
| SCHEMBL3789153 | 0.71 | CYP3A4 (0.52) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL11429558 | 0.71 | PDE7A (0.52) | CYP1A2CYP2C19SMN1; SMN2MAPTTSHR | |
| SCHEMBL2653845 | 0.70 | CCR2 (0.55) | MAPTTSHRMAPK1HTTALDH1A1 | |
| SCHEMBL1116804 | 0.70 | HSD17B10 (0.50) | RAB9ACYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL11669300 | 0.70 | RAB9A (0.46) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E |
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-20150364311-A1 | COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY | MSTM, LLC | 2015-12-17 | — | — | US | disclosed |