Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8053274 | 1.00 | ALDH1A1 (0.40) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL8105513 | 0.78 | SLC6A2 (0.43) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL13267449 | 0.74 | ALDH1A1 (0.54) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL178624 | 0.74 | ALDH1A1 (0.54) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL16961922 | 0.71 | AHR (0.44) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL2951028 | 0.69 | AHR (0.46) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL28125733 | 0.69 | AHR (0.46) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL9673577 | 0.68 | AHR (0.41) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 | |
| SCHEMBL9618278 | 0.68 | AHR (0.41) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL254524 | 0.68 | AHR (0.50) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A2 |
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 16 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-6013644-A | AIDS THERAPY | 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 |
| US-5869496-A | TREATING ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0681571-B1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1998025604-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| WO-1998025617-A1 | SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0783498-A4 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO INC (US) | 1998-04-15 | — | — | EP | disclosed |
| EP-0783498-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5607936-A | USEFUL IN TREATMENT OF RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996010568-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1996-04-11 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0681571-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |
| WO-1994017045-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-08-04 | — | — | WO | disclosed |