Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL133476 | 0.83 | TSHR (0.48) | KDM4ETDP1 | |
| SCHEMBL4456835 | 0.82 | ABAT (0.48) | TAAR1MAOBLOXL2 | |
| SCHEMBL8750358 | 0.82 | LPL (0.45) | KDM4EALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL11367135 | 0.82 | TSHR (0.48) | CYP1A2ALDH1A1L3MBTL1KMT2ATDP1 | |
| SCHEMBL26189874 | 0.80 | TAAR1 (0.54) | TAAR1CYP2A6CYP1A2KDM4EALDH1A1 | |
| Tyramine SCHEMBL7481607 | 0.79 | TAAR1 (0.64) | TAAR1CYP2A6CYP1A2KDM4EALDH1A1 | |
| Phenethylamine SCHEMBL27512107 | 0.78 | TAAR1 (0.70) | TAAR1CYP2A6CYP1A2CYP2C19HTR2A | |
| SCHEMBL2093823 | 0.78 | ALDH1A1 (0.51) | KDM4EALDH1A1ADRA2ASLC6A2HTR2A | |
| SCHEMBL1049690 | 0.77 | TAAR1 (0.61) | TAAR1CYP2A6CYP1A2KDM4EALDH1A1 | |
| SCHEMBL27430936 | 0.77 | MCL1 (0.41) | MAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| CN-1184423-A | Nodulisporic acid derivatives | MERCK & CO INC (US) | 1998-06-10 | — | — | CN | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |