Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 5/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL562742 | 0.83 | TSHR (0.52) | PTGES2MCOLN3TSHRLMNAKMT2A | |
| Hydrochloric Acid SCHEMBL942823 | 0.81 | TSHR (0.50) | PTGES2MCOLN3TSHRLMNAKMT2A | |
| SCHEMBL13278151 | 0.81 | TSHR (0.50) | PTGES2MCOLN3TSHRLMNAKMT2A | |
| SCHEMBL5674206 | 0.80 | F2 (0.60) | F2KMT2A | |
| Orcinol SCHEMBL7441405 | 0.74 | PGR (0.49) | TSHRKMT2AALDH1A1AKR1B1 | |
| SCHEMBL974591 | 0.72 | HSD11B1 (0.49) | ALDH1A1 | |
| SCHEMBL4313799 | 0.72 | MYC (0.43) | MCOLN3TSHRLMNAKMT2AALDH1A1 | |
| Orcinol SCHEMBL1046168 | 0.71 | ALDH1A1 (0.63) | TSHRLMNAKMT2AALDH1A1ACHE | |
| Hydrochloric Acid SCHEMBL11155347 | 0.71 | HSD11B1 (0.47) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28288401 | 0.71 | MYC (0.42) | MCOLN3TSHRLMNAKMT2AALDH1A1 |
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-0859607-B1 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |
| EP-0859607-A4 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0859607-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1997011693-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-04-03 | — | — | WO | disclosed |