Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10957590 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL9618596 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL8077428 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL29079647 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL14852984 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL13181110 | 0.79 | S1PR1 (0.52) | ALDH1A1CYP3A4IGLV6-57ARSIGMAR1 | |
| SCHEMBL18386526 | 0.78 | TAAR1 (0.55) | ALDH1A1CYP3A4TSHRIGLV6-57LMNA | |
| SCHEMBL28647276 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL6055403 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHROPRM1HSD17B1 | |
| SCHEMBL6881724 | 0.76 | ESR1 (0.47) | ALDH1A1CYP3A4TSHROPRM1IGLV6-57 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858993-B1 | Method of producing keto acids | MITSUI CHEMICALS INC (JP) | 2003-06-25 | — | — | EP | disclosed |
| EP-0511019-B1 | Method of producing keto acids | MITSUI CHEMICALS INC (JP) | 1999-06-23 | — | — | EP | disclosed |
| EP-0858993-A1 | Method of producing keto acids | Mitsui Chemicals, Inc. (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-5371285-A | Method of producing keto acids | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0511019-A2 | Method of producing keto acids | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |