Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UTS2R | Q9UKP6 | 6/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL8878961 | 1.00 | UTS2R (0.37) | UTS2RL3MBTL1POLBGABBR2GABBR1 | |
| SCHEMBL8064776 | 0.88 | ALDH1A1 (0.36) | LMNAITGAV | |
| SCHEMBL8064773 | 0.88 | ALDH1A1 (0.36) | LMNAITGAV | |
| SCHEMBL8879740 | 0.83 | RHOC (0.43) | UTS2R | |
| SCHEMBL8069509 | 0.83 | RHOC (0.43) | UTS2R | |
| SCHEMBL8561494 | 0.78 | HTT (0.37) | POLBLMNAITGAV | |
| SCHEMBL8561489 | 0.78 | HTT (0.37) | POLBLMNAITGAV | |
| SCHEMBL8053257 | 0.73 | ALDH1A1 (0.37) | LMNACYP3A4CYP2D6ITGAV | |
| SCHEMBL8063808 | 0.73 | ALDH1A1 (0.37) | LMNACYP3A4CYP2D6ITGAV | |
| SCHEMBL8062563 | 0.72 | TACR1 (0.39) | — |
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 |