Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | ALB | P02768 | 1/20 | 0.55 |
| ▸ | CDC25B | P30305 | 3/20 | 0.55 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PRNP | P04156 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27185988 | 0.91 | CES2 (0.68) | ALDH1A1ALOX15CES2CES1ALB | |
| SCHEMBL31574193 | 0.91 | CES2 (0.68) | ALDH1A1ALOX15CES2CES1ALB | |
| SCHEMBL30293901 | 0.89 | CES2 (0.71) | ALDH1A1ALOX15CES2CES1ALB | |
| SCHEMBL250099 | 0.89 | CES2 (0.71) | ALDH1A1ALOX15CES2CES1ALB | |
| SCHEMBL29362443 | 0.86 | CES2 (0.68) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL97828 | 0.86 | CES2 (0.68) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL30968201 | 0.86 | CES2 (0.68) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| Hydrochloric Acid SCHEMBL27733532 | 0.86 | CES2 (0.68) | ALDH1A1ALOX15CES2CES1ALB | |
| SCHEMBL29977835 | 0.86 | ALDH1A1 (0.82) | ALDH1A1ALOX15AKR1C3CDC25BCDC25A | |
| SCHEMBL11402284 | 0.86 | ALDH1A1 (0.82) | ALDH1A1ALOX15AKR1C3CDC25BCDC25A |
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-0481383-B1 | Heterocyclic amine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5300646-A | Intermediates for acylcoenzyme A:cholesterol acyltransferase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-05 | — | — | US | disclosed |
| US-5198462-A | Acyl Coenzyme A:Cholesterol Transferase Inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-30 | — | — | US | disclosed |
| EP-0481383-A1 | Heterocyclic amine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1992-04-22 | — | — | EP | disclosed |
| US-4505921-A | Sulfonylurea compounds and their use in treating diabetes | ADIR, S.A.R.L. (FR) | 1985-03-19 | — | — | US | disclosed |