Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL303868 | 0.90 | — | — | |
| Acetic Acid SCHEMBL3543052 | 0.88 | MEN1 (0.41) | DGAT1CA12CA14CA2TDP1 | |
| SCHEMBL15512903 | 0.88 | TDP1 (0.39) | DGAT1CA12CA14CA2TDP1 | |
| SCHEMBL30402270 | 0.87 | DGAT1 (0.42) | DGAT1CA12CA14CA2TDP1 | |
| SCHEMBL28175005 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27497408 | 0.87 | DGAT1 (0.42) | DGAT1CA12CA14CA2TDP1 | |
| Propane SCHEMBL28996705 | 0.83 | CA1 (0.44) | ALDH1A1DGAT1CA12CA14CA2 | |
| Alcohol SCHEMBL23629777 | 0.81 | TDP1 (0.47) | ALDH1A1DGAT1CA12CA14CA2 | |
| Acetaldehyde SCHEMBL8007442 | 0.81 | CTSK (0.44) | ALDH1A1DGAT1CA12CA14CA2 | |
| Hypophosphorous Acid SCHEMBL8827759 | 0.81 | TDP1 (0.38) | DGAT1CA12CA14CA2TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739886-B1 | Selective thrombin inhibitors | LG CHEMICAL LTD (KR) | 2003-10-01 | — | — | EP | disclosed |
| US-5985899-A | ANTICOAGULANTS | LG CHEMICAL LTD. (KR) | 1999-11-16 | — | — | US | disclosed |
| US-5977114-A | Selective thrombin inhibitors | LG CHEMICAL LTD. (KR) | 1999-11-02 | — | — | US | disclosed |
| US-5747535-A | AMIDINOPHENYL COMPOUNDS | LG CHEMICAL LTD. (KR) | 1998-05-05 | — | — | US | disclosed |
| WO-1997049673-A1 | SELECTIVE THROMBIN INHIBITORS | LG CHEMICAL LTD. (KR) | 1997-12-31 | — | — | WO | disclosed |
| EP-0739886-A2 | Selective thrombin inhibitors | LG Chemical Limited (KR) | 1996-10-30 | — | — | EP | disclosed |