Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6025178 | 0.81 | CA1 (0.36) | HPGDHTR2A | |
| SCHEMBL3736107 | 0.74 | — | — | |
| SCHEMBL1375450 | 0.74 | NPC1 (0.35) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL374979 | 0.71 | ALDH1A1 (0.33) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL4838387 | 0.69 | HTR2A (0.36) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL15010759 | 0.69 | POLB (0.33) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL2073990 | 0.69 | HTR2A (0.36) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL553792 | 0.69 | NPC1 (0.35) | NPC1MITFRAB9APOLBHPGD | |
| SCHEMBL1198917 | 0.69 | ALDH1A1 (0.36) | RAB9AHPGDSMN1; SMN2HTR2A | |
| SCHEMBL9639131 | 0.69 | CA1 (0.33) | HPGDSMN1; SMN2 |
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-1212309-B1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2004-08-18 | — | — | EP | disclosed |
| EP-1212309-A4 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2002-11-27 | — | — | EP | disclosed |
| EP-1212309-A1 | CASPASE INHIBITOR | LG Chem Investment, Ltd. (KR) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001021600-A1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |
| WO-2001021599-A1 | CASPASE INHIBITOR | LG CHEMICAL LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |
| US-5965562-A | TREATING DISORDERS INDUCED BY SUBSTANCE P AND MIGRAINE HEADACHE | NOVARTIS CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |