Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4193868 | 0.94 | MMP3 (0.43) | NAAAMMP3CYP2A6IDO1ALDH1A1 | |
| SCHEMBL247479 | 0.93 | CYP2A6 (0.46) | CYP2A6IDO1ALDH1A1L3MBTL1POLB | |
| SCHEMBL23137321 | 0.88 | MMP3 (0.50) | MMP3TNFCHEK1L3MBTL1FLT3 | |
| SCHEMBL196175 | 0.88 | MMP3 (0.50) | MMP3TNFCHEK1L3MBTL1FLT3 | |
| SCHEMBL8993250 | 0.86 | SRD5A2 (0.41) | CYP2A6IDO1ALDH1A1L3MBTL1POLB | |
| SCHEMBL17625196 | 0.85 | MMP3 (0.43) | MMP3TNFCHEK1L3MBTL1FLT3 | |
| Toluene SCHEMBL15303842 | 0.84 | LMNA (0.48) | CYP2A6IDO1ALDH1A1L3MBTL1POLB | |
| Toluene SCHEMBL15756043 | 0.84 | LMNA (0.48) | CYP2A6IDO1ALDH1A1L3MBTL1POLB | |
| Toluene SCHEMBL15756051 | 0.84 | LMNA (0.48) | CYP2A6IDO1ALDH1A1L3MBTL1POLB | |
| SCHEMBL10899606 | 0.82 | CYP2A6 (0.52) | MMP3CYP2A6ALDH1A1TNFCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1618087-B1 | ANTIBACTERIAL AGENTS | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2012-06-13 | — | — | EP | disclosed |
| US-4572794-A | Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-02-25 | — | — | US | disclosed |