Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL27896829 | 1.00 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL29788033 | 0.97 | TAAR1 (0.61) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL170231 | 0.97 | TAAR1 (0.61) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL29380954 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| Hydrochloric Acid SCHEMBL28870177 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL16394095 | 0.95 | TAAR1 (0.65) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL5539603 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| Hydrochloric Acid SCHEMBL28808204 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| SCHEMBL19501160 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 | |
| Water SCHEMBL11024520 | 0.95 | TAAR1 (0.59) | TAAR1ALOX5TSHRNPC1TP53 |
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-5288848-A | Reacting mono- and dihalogenated aromatics with alkali sulfide ; low corrosion during processing | BAYER AKTIENGESELLSCHAFT (DE) | 1994-02-22 | — | — | US | disclosed |
| US-4760127-A | Reacting dihalogen aromatics and alkali metal sulfide in presence of a monohalogen compound and a monomercapto compound | BAYER AG (DE) | 1988-07-26 | — | — | US | disclosed |