Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL22728395 | 0.88 | CTSL (0.35) | BACE1SLC6A2SLC6A4HTR1ASLC6A3 | |
| Hydrochloric Acid SCHEMBL22719372 | 0.87 | CTSL (0.35) | BACE1SLC6A2SLC6A4HTR1ASLC6A3 | |
| SCHEMBL31117976 | 0.85 | BACE1 (0.40) | BACE1ALDH1A1TAAR1KMT2APROKR1 | |
| SCHEMBL22728366 | 0.82 | PROKR1 (0.35) | BACE1SLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL22719277 | 0.82 | PROKR1 (0.39) | BACE1SLC6A2SLC6A4SLC6A3KDM4E | |
| Hydrochloric Acid SCHEMBL22719219 | 0.81 | HTR2C (0.35) | HTR2COPRM1USP2 | |
| SCHEMBL22719337 | 0.81 | LMNA (0.43) | BACE1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22728358 | 0.81 | BACE1 (0.43) | BACE1SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL22728299 | 0.81 | TACR1 (0.48) | SLC6A2SLC6A4SLC6A3POLBHTR2C | |
| Hydrochloric Acid SCHEMBL22719430 | 0.81 | PROKR1 (0.34) | BACE1SLC6A2SLC6A4HTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1641494-A1 | TRITIATED GROWTH HORMONE SECRETAGOGUE MK-0677 | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-05 | — | — | EP | disclosed |
| EP-1372653-A4 | ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2005000362-A1 | TRITIATED GROWTH HORMONE SECRETAGOGUE MK-0677 | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-06 | — | — | WO | disclosed |
| EP-1372653-A2 | ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002068387-A2 | ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |