Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GRM6 | O15303 | 2/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL14639172 | 0.89 | DAO (0.52) | ANPEPTSHRSRD5A2ENPEPTDP1 | |
| Benzoic Acid SCHEMBL14639173 | 0.89 | DAO (0.52) | ANPEPTSHRSRD5A2ENPEPTDP1 | |
| SCHEMBL8428399 | 0.86 | TSHR (0.45) | ANPEPTSHRCA1CA2ALDH1A1 | |
| SCHEMBL7626200 | 0.85 | GRM8 (0.49) | GRM4ALDH1A1SMN1; SMN2KMT2AGRM8 | |
| SCHEMBL7622743 | 0.82 | GRM4 (0.38) | ANPEPTSHRGRM6GRM4GRM1 | |
| SCHEMBL6512389 | 0.82 | GRM8 (0.45) | TSHRGRM6GRM4SMN1; SMN2MEN1 | |
| SCHEMBL9261826 | 0.82 | CYP2C9 (0.51) | TSHRALOX15MEN1KMT2AGRIK1 | |
| SCHEMBL5860807 | 0.81 | DPP4 (0.56) | CYP2D6 | |
| SCHEMBL8058962 | 0.81 | DPP4 (0.56) | CYP2D6 | |
| SCHEMBL939042 | 0.81 | DPP4 (0.56) | CYP2D6 |
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-6444825-B1 | CHEMICAL INTERMEDIATE FOR TAXOL | AVENTIS PHARMA S.A. (FR) | 2002-09-03 | — | — | US | disclosed |
| US-6043375-A | Process for the preparation of an oxazolidinecarboxylic acid which is useful for preparing therapeutically active taxoids | RHONE-POULENC RORER S.A. (FR) | 2000-03-28 | — | — | US | disclosed |