Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PGK1 | P00558 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11071310 | 0.87 | ALDH1A1 (0.49) | ALDH1A1LTA4HL3MBTL1POLBSMN1; SMN2 | |
| SCHEMBL11068752 | 0.83 | PGK1 (0.40) | ALDH1A1POLBSMN1; SMN2PGK1GAA | |
| SCHEMBL2908596 | 0.69 | ALDH1A1 (0.69) | ALDH1A1LTA4HL3MBTL1SMN1; SMN2GAA | |
| SCHEMBL10750744 | 0.69 | SMN1; SMN2 (0.53) | ALDH1A1LTA4HL3MBTL1POLBSMN1; SMN2 | |
| SCHEMBL7662639 | 0.67 | CYP1A2 (0.62) | ALDH1A1LTA4HL3MBTL1POLBSMN1; SMN2 | |
| SCHEMBL22792280 | 0.67 | ALDH1A1 (0.50) | ALDH1A1LTA4HL3MBTL1POLBSMN1; SMN2 | |
| SCHEMBL22792311 | 0.66 | CYP1A2 (0.53) | ALDH1A1LTA4HL3MBTL1POLBPGK1 | |
| SCHEMBL22792621 | 0.66 | CYP1A2 (0.54) | ALDH1A1LTA4HL3MBTL1POLBPGK1 | |
| SCHEMBL19312422 | 0.66 | LTA4H (0.60) | ALDH1A1LTA4HGAACYP1A2CYP2D6 | |
| SCHEMBL3122746 | 0.66 | L3MBTL1 (0.67) | ALDH1A1LTA4HL3MBTL1SMN1; SMN2PGK1 |
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-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | claimed |
| US-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | disclosed |