Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL561401 | 0.83 | RAB9A (0.51) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8352671 | 0.82 | KMT2A (0.58) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL23077935 | 0.80 | HDAC8 (0.57) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL941161 | 0.80 | CYP1A2 (0.56) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9377954 | 0.79 | GAA (0.54) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28668774 | 0.77 | GAA (0.79) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| Acetic Acid SCHEMBL23070491 | 0.77 | CYP2C19 (0.61) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| Acetone SCHEMBL27517311 | 0.77 | CYP2C19 (0.61) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11259579 | 0.77 | PAM (0.62) | GAAALDH1A1LMNAKDM4E | |
| SCHEMBL560042 | 0.77 | MAPK1 (0.59) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329363-A | Substituted mercapto acid amides and their use | MERCK & CO., INC. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4216160-A | IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS | MERCK & CO., INC. (US) | 1980-08-05 | — | — | US | disclosed |
| EP-0001989-A1 | Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use | MERCK & CO. INC. (US) | 1979-05-30 | — | — | EP | disclosed |