Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 4/20 | 0.34 |
| ▸ | GLS | O94925 | 2/20 | 0.34 |
| ▸ | CPN1 | P15169 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8152216 | 1.00 | NPC1 (0.38) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL6950620 | 1.00 | NPC1 (0.38) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL8721288 | 1.00 | NPC1 (0.38) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL15471676 | 0.90 | NPC1 (0.39) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL15471678 | 0.90 | NPC1 (0.39) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL4689378 | 0.90 | NPC1 (0.44) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL4689373 | 0.90 | NPC1 (0.44) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL15474095 | 0.86 | IDH1 (0.47) | IDH1GNRHR | |
| SCHEMBL7408072 | 0.86 | NPC1 (0.38) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL8724457 | 0.86 | NPC1 (0.38) | NPC1LMNATP53HPGDRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758327-B1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | UPJOHN CO (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |