Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062891 | 1.00 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8062537 | 0.90 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8579734 | 0.84 | ALDH1A1 (0.36) | SLC6A4SLC6A2SLC6A3ALDH1A1LMNA | |
| SCHEMBL8579732 | 0.84 | ALDH1A1 (0.36) | SLC6A4SLC6A2SLC6A3ALDH1A1LMNA | |
| SCHEMBL8062813 | 0.72 | PNMT (0.41) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8062809 | 0.72 | PNMT (0.41) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8580760 | 0.72 | PNMT (0.41) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6585584 | 0.72 | S1PR3 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1LMNA | |
| SCHEMBL6585577 | 0.72 | S1PR3 (0.43) | SLC6A4SLC6A2SLC6A3ALDH1A1LMNA | |
| SCHEMBL4630832 | 0.72 | SLC6A3 (0.35) | SLC6A4SLC6A2SLC6A3ALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013652-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES | MERCK & CO., INC. (US) | 2000-01-11 | — | — | US | disclosed |
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |