Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2919402 | 0.91 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL2917397 | 0.89 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL2917410 | 0.86 | PRSS1 (0.39) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19595702 | 0.77 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL16949830 | 0.75 | TSHR (0.39) | CYP3A4TSHRTDP1ALDH1A1LMNA | |
| SCHEMBL232259 | 0.75 | TSHR (0.39) | CYP3A4TSHRTDP1ALDH1A1LMNA | |
| SCHEMBL28870685 | 0.75 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL2917189 | 0.75 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL11895929 | 0.74 | ACE2 (0.41) | ALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL234284 | 0.73 | CYP3A4 (0.41) | CYP3A4TSHRTDP1ALDH1A1MAPK1 |
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-20100310891-A1 | Compositions Based on C4-C7 Secondary Aliphatic Alcohol Esters of Cyclohexanecarboxylic Acids | EXXONMOBIL CHEMICAL PATENTS INC. | 2010-12-09 | — | — | US | disclosed |
| WO-2009070399-A1 | COMPOSITIONS BASED ON C4-C7 SECONDARY ALIPHATIC ALCOHOL ESTERS OF CYCLOHEXANECARBOXYLIC ACIDS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-06-04 | — | — | WO | disclosed |