Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.52 |
| ▸ | CASR | P41180 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598568 | 0.76 | NPC1 (0.52) | NPC1RAB9ACASRCYP2C19HPGD | |
| SCHEMBL8004908 | 0.75 | TAS1R3 (0.63) | NPC1RAB9ATAS1R3TAS1R1CASR | |
| SCHEMBL2751208 | 0.74 | RAB9A (0.97) | NPC1RAB9ATAS1R3TAS1R1TP53 | |
| SCHEMBL8007467 | 0.74 | MEN1 (0.62) | NPC1RAB9ATAS1R3TAS1R1CASR | |
| SCHEMBL11336178 | 0.73 | RAB9A (1.00) | NPC1RAB9ATAS1R3TAS1R1CYP2C19 | |
| SCHEMBL8004565 | 0.72 | CASR (0.50) | NPC1RAB9ATAS1R3TAS1R1CASR | |
| SCHEMBL4351271 | 0.72 | EPHX1 (0.60) | NPC1RAB9ATAS1R3TAS1R1TP53 | |
| SCHEMBL10458447 | 0.72 | KDM4E (0.72) | NPC1RAB9ACYP2C19HPGDMAPK1 | |
| SCHEMBL13480553 | 0.71 | TAS1R3 (0.60) | NPC1RAB9ATAS1R3TAS1R1CASR | |
| SCHEMBL27714794 | 0.71 | MAPK1 (0.61) | NPC1RAB9ATAS1R3TAS1R1CASR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060484-A | Anti-viral method | ELI LILLY AND COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0806205-A2 | Urea, thiourea and guanidine compounds and their use as anti-viral agents | ELI LILLY AND COMPANY (US) | 1997-11-12 | — | — | EP | disclosed |