Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALPG | P10696 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL8035378 | 0.91 | ALDH1A1 (0.59) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL13198785 | 0.89 | ALDH1A1 (0.58) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL181005 | 0.86 | TSHR (0.56) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL29031398 | 0.84 | ALDH1A1 (0.55) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| Acetonitrile SCHEMBL28159901 | 0.84 | ALDH1A1 (0.55) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27539023 | 0.84 | TSHR (0.54) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL6307398 | 0.84 | TSHR (0.54) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL909586 | 0.84 | TSHR (0.54) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL29031368 | 0.81 | ALDH1A1 (0.75) | ALDH1A1AKR1C3AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL11765573 | 0.81 | ACHE (0.54) | ALDH1A1AKR1C3AKR1C1LMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003336-B | 1,2, 4-Triazole-3-amine compound, and preparation method and application thereof | 赣南师范大学 | 2024-11-05 | — | — | CN | disclosed |
| CN-116003336-A | 1,2, 4-triazole-3-amine compound, and preparation method and application thereof | 赣南师范大学 | 2023-04-25 | — | — | CN | disclosed |
| WO-2016093175-A1 | METHOD FOR PRODUCING TRI(HETERO)ARYLACETONITRILE COMPOUND | 国立大学法人名古屋大学 | 2016-06-16 | — | — | WO | disclosed |
| US-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |
| EP-0519831-A1 | N-Substituted heterocyclic derivatives, their preparation, and pharmaceutical compositions containing them | SANOFI (FR) | 1992-12-23 | — | — | EP | disclosed |
| US-4281141-A | FUNGICIDES | ELI LILLY AND COMPANY (US) | 1981-07-28 | — | — | US | disclosed |