Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11833387 | 0.90 | ALDH1A1 (0.57) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11828243 | 0.86 | MEN1 (0.64) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11830698 | 0.85 | SORT1 (0.55) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11823640 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11835490 | 0.83 | NPC1 (0.57) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11831634 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11837121 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11839750 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11726200 | 0.80 | NPC1 (0.62) | ALDH1A1HPGDTP53LMNANPC1 | |
| SCHEMBL11824435 | 0.79 | HPGD (0.63) | ALDH1A1HPGDTP53LMNANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3995044-A | Pyridine carboxylic acid amides for mycobacterium infections | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-30 | — | — | US | disclosed |