Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8476775 | 0.90 | ALDH1A1 (0.64) | ALDH1A1PTGS2MAPTLMNAHPGD | |
| SCHEMBL11667959 | 0.87 | PTGS2 (0.55) | ALDH1A1PTGS2MAPTLMNAHPGD | |
| SCHEMBL11659835 | 0.82 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL8479039 | 0.80 | ALDH1A1 (0.73) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL11973476 | 0.79 | PTGS2 (0.49) | ALDH1A1PTGS2MAPTLMNAHPGD | |
| SCHEMBL15362563 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL8482947 | 0.78 | ALDH1A1 (0.57) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL9579065 | 0.77 | ALDH1A1 (0.86) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL94572 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7322213 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5912258-A | ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS | SHISEIDO CO., LTD. (JP) | 1999-06-15 | — | — | US | disclosed |
| US-4074049-A | Antithrombotic 1,3,4-thiadiazole | THE DOW CHEMICAL COMPANY (US) | 1978-02-14 | — | — | US | disclosed |