Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8561494 | 1.00 | HTT (0.37) | HTTALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL8064776 | 0.90 | ALDH1A1 (0.36) | HTTALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL8064773 | 0.90 | ALDH1A1 (0.36) | HTTALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL8053257 | 0.86 | ALDH1A1 (0.37) | HTTALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL8063808 | 0.86 | ALDH1A1 (0.37) | HTTALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL6603767 | 0.82 | LMNA (0.41) | HTTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL13965263 | 0.82 | LMNA (0.41) | HTTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8559422 | 0.78 | UTS2R (0.37) | LMNAPOLBITGAV | |
| SCHEMBL8878961 | 0.78 | UTS2R (0.37) | LMNAPOLBITGAV | |
| SCHEMBL6604797 | 0.77 | SLC6A2 (0.40) | HTTALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998025617-A1 | SUBSTITUTED ARYL PIPERAZINES 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 |