Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3267344 | 0.89 | NCF1 (0.43) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL8035416 | 0.85 | L3MBTL1 (0.45) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL10578784 | 0.83 | L3MBTL1 (0.44) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL8035078 | 0.83 | GAA (0.64) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL1128703 | 0.83 | ALDH1A1 (0.43) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL26512422 | 0.79 | NCF1 (0.42) | ALDH1A1HTTPOLBGAANPC1 | |
| SCHEMBL30080906 | 0.78 | HTT (0.47) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL12915380 | 0.77 | S1PR3 (0.49) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL11251120 | 0.76 | NCF1 (0.40) | ALDH1A1HTTPOLBGAANPC1 | |
| SCHEMBL8044865 | 0.76 | RAB9A (0.44) | ALDH1A1HTTL3MBTL1POLBNPC1 |
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 3 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 |
| US-3936461-A | Substituted 4-benzylquinolines | WARNER-LAMBERT COMPANY (US) | 1976-02-03 | — | — | US | disclosed |