Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL11007120 | 0.95 | ACHE (0.60) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Benzene SCHEMBL28200427 | 0.94 | ACHE (0.67) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL11735289 | 0.92 | ACHE (0.71) | ACHETSHRALDH1A1MAOACYP3A4 | |
| SCHEMBL29350699 | 0.92 | — | — | |
| SCHEMBL11789 | 0.92 | — | — | |
| Methane SCHEMBL6682100 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL7913171 | 0.89 | ACHE (0.67) | ACHETSHRALDH1A1MAOACYP3A4 | |
| Hydrochloric Acid SCHEMBL2477661 | 0.89 | — | — | |
| SCHEMBL22719995 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2551919 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021257420-A1 | 5-OXOPYRROLIDINE-3-CARBOXAMIDES AS NAV1.8 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-12-23 | — | — | WO | disclosed |
| EP-1968635-B1 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX INC (US) | 2014-09-17 | — | — | EP | disclosed |