Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11264441 | 0.75 | KIF11 (0.48) | KIF11 | |
| SCHEMBL11264480 | 0.73 | KMT2A (0.60) | ALDH1A1MAPTKMT2APOLBGAA | |
| SCHEMBL11259579 | 0.71 | PAM (0.62) | CNR2ALDH1A1KMT2AGAALMNA | |
| SCHEMBL11270278 | 0.70 | LMNA (0.38) | MAPTKMT2AEPHX1LMNA | |
| SCHEMBL11261370 | 0.70 | MTNR1A (0.41) | ALDH1A1MAPTKMT2APOLBCTSK | |
| SCHEMBL11269396 | 0.69 | LMNA (0.57) | ALDH1A1MAPTKMT2APOLBHTT | |
| SCHEMBL11267948 | 0.69 | MAPT (0.51) | ALDH1A1MAPTKMT2APOLBGAA | |
| SCHEMBL11264131 | 0.68 | TDP1 (0.49) | CYP1A2ALDH1A1MAPTKMT2APOLB | |
| SCHEMBL11270801 | 0.68 | TDP1 (0.49) | CYP1A2ALDH1A1MAPTKMT2APOLB | |
| SCHEMBL14655085 | 0.67 | CYP1A2 (0.67) | CYP1A2CNR1CNR2ALDH1A1MAPT |
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-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 |