Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8364617 | 0.86 | CYP2C19 (0.44) | ALDH1A1CYP3A4THRBHCAR2CYP2D6 | |
| SCHEMBL28110630 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4THRBHCAR2CYP2D6 | |
| SCHEMBL11062249 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4THRBHCAR2CYP2C19 | |
| SCHEMBL37125 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2NPSR1 | |
| Water SCHEMBL5357502 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2NPSR1 | |
| SCHEMBL18269392 | 0.80 | KMT2A (0.51) | ALDH1A1CYP3A4THRBHCAR2KMT2A | |
| SCHEMBL27336664 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6CYP1A2 | |
| SCHEMBL17491377 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6CYP1A2 | |
| SCHEMBL24708816 | 0.78 | THRB (0.43) | ALDH1A1CYP3A4THRBHCAR2CYP2D6 | |
| SCHEMBL439256 | 0.78 | ESR1 (0.49) | ALDH1A1THRBHCAR2CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0098743-B1 | PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE | Yu, Ruey J., Dr. (US) | 1988-09-28 | — | — | EP | claimed |
| US-5514509-A | FREE-FLOWING, CORE COATED WITH A POLYDIMETHYLSILOXANE AND A METHYLATED MELAMINE-FORMALDEHYDE RESIN | MITA INDUSTRIAL CO., LTD. (JP) | 1996-05-07 | — | — | US | disclosed |
| EP-0536728-B1 | Electrophotographic developer | MITA INDUSTRIAL CO LTD (JP) | 1995-04-05 | — | — | EP | disclosed |
| EP-0536728-A1 | Electrophotographic developer | MITA INDUSTRIAL CO. LTD. (JP) | 1993-04-14 | — | — | EP | disclosed |