Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29055221 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| SCHEMBL14289044 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| SCHEMBL4697152 | 0.80 | GAA (0.60) | ALDH1A1GAAMAPTLMNACA9 | |
| SCHEMBL10310272 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| SCHEMBL11097818 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| SCHEMBL10753424 | 0.79 | ALDH1A1 (0.67) | ALDH1A1GAAMAPTHTTCYP1A2 | |
| Iodide SCHEMBL10593164 | 0.78 | GAA (0.58) | ALDH1A1GAAMAPTLMNACA9 | |
| Hydrochloric Acid SCHEMBL10753093 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| Water SCHEMBL10758927 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GAAMAPTLMNA | |
| Hydrochloric Acid SCHEMBL11333270 | 0.78 | ALDH1A1 (0.65) | ALDH1A1GAAMAPTHTTCYP1A2 |
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-4258181-A | BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-03-24 | — | — | US | disclosed |
| US-4154947-A | HYPOTENSIVE AGENTS, DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1979-05-15 | — | — | US | disclosed |