Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | CES2 | O00748 | 3/20 | 0.57 |
| ▸ | CES1 | P23141 | 3/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7967901 | 0.87 | CES2 (0.73) | CES2CES1HSD17B1HSD17B2RAB9A | |
| SCHEMBL18193764 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL18193772 | 0.84 | ALDH1A1 (0.64) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL13991056 | 0.84 | CES2 (0.57) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL590885 | 0.83 | ALDH1A1 (0.57) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL24419780 | 0.82 | ALDH1A1 (0.61) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL18193776 | 0.82 | ALDH1A1 (0.55) | ALDH1A1LMNASRD5A2SMN1; SMN2HPGD | |
| SCHEMBL332679 | 0.82 | ATM (0.61) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL52200 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL822185 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNACES2CES1SRD5A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0600317-B1 | Process for the preparation of halogenated benzoic acids | HOECHST AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5481032-A | Process for the preparation of halogenated benzoic acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-02 | — | — | US | disclosed |
| EP-0600317-A1 | Process for the preparation of halogenated benzoic acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-08 | — | — | EP | disclosed |