Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6700500 | 1.00 | TACR1 (0.52) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL4913542 | 1.00 | TACR1 (0.52) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4913478 | 0.99 | TACR1 (0.53) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL9420083 | 0.95 | TACR1 (0.51) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL8694736 | 0.90 | TACR1 (0.54) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL6153291 | 0.89 | TACR1 (0.54) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL9420084 | 0.89 | MEN1 (0.43) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL4918429 | 0.89 | TACR1 (0.45) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL7254534 | 0.89 | TACR1 (0.43) | TACR1KCNH2CYP2D6HTR1AHTR2A | |
| SCHEMBL4915866 | 0.89 | TACR1 (0.45) | TACR1KCNH2CYP2D6HTR1AHTR2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017395-A4 | METHOD FOR TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME | MERCK & CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-1030672-A1 | METHOD FOR TREATING ATTENTION DEFICIT DISORDER | Merck & Co., Inc. (US) | 2000-08-30 | — | — | EP | disclosed |
| EP-1017395-A1 | METHOD FOR TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999059583-A1 | METHOD FOR TREATING OR PREVENTING CHRONIC NONBACTERIAL PROSTATITIS AND PROSTATODYNIA | MERCK & CO., INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| WO-1999027938-A1 | METHOD FOR TREATING OR PREVENTING PSYCHOSOMATIC AND PSYCHOIMMUNOLOGIC DISORDERS | MERCK & CO., INC. (US) | 1999-06-10 | — | — | WO | disclosed |
| WO-1999025364-A1 | METHOD FOR TREATING ATTENTION DEFICIT DISORDER | MERCK & CO., INC. (US) | 1999-05-27 | — | — | WO | disclosed |
| WO-1999009987-A1 | METHOD FOR TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |