Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10398717 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1TRPA1CA2 | |
| SCHEMBL11435958 | 0.80 | GABRA1 (0.48) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL358963 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL29747171 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL7924324 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1CA2RBP4 | |
| SCHEMBL16393721 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1ELANERBP4 | |
| SCHEMBL765679 | 0.75 | HSPA5 (0.48) | TSHRTRPA1CA2GABRA1GABRB2 | |
| SCHEMBL9817577 | 0.75 | TRPA1 (0.42) | ALDH1A1ELANETRPA1GABRA1GABRB2 | |
| SCHEMBL28256228 | 0.75 | HSPA5 (0.48) | TSHRTRPA1CA2GABRA1GABRB2 | |
| SCHEMBL21119138 | 0.73 | TRPA1 (0.41) | TDP1ELANETRPA1GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5110954-A | Catalytic conversion to lactone | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| EP-0045571-B1 | PROCESS FOR THE PRODUCTION OF PHENYL SUBSTITUTED ALDEHYDES AND OF PHENYL SUBSTITUTED ALCOHOLS | BUSH BOAKE ALLEN Limited (GB) | 1985-06-26 | — | — | EP | disclosed |
| US-4486607-A | Process for the production of phenyl substituted propanal | BUSH BOAKE ALLEN LIMITED (GB) | 1984-12-04 | — | — | US | disclosed |
| EP-0045571-A1 | Process for the production of phenyl substituted aldehydes and of phenyl substituted alcohols | BUSH BOAKE ALLEN Limited (GB) | 1982-02-10 | — | — | EP | disclosed |