Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | FADS1 | O60427 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 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 | |
|---|---|---|---|---|
| SCHEMBL827076 | 0.83 | GABRA1 (0.43) | CYP1A2CYP3A4NFKB1LMNAMAOA | |
| SCHEMBL16844503 | 0.80 | MAOA (0.39) | CYP1A2CYP3A4ALDH1A1LMNAMAOA | |
| SCHEMBL12261467 | 0.79 | HTR2C (0.40) | MAOAMAOBFTOHTR2AHTR2C | |
| SCHEMBL3794030 | 0.77 | TSHR (0.46) | LMNAMAOAMAOBFTOHTR2A | |
| SCHEMBL30401257 | 0.76 | HTR2A (0.44) | MAOAHTR2AHTR2CSLC6A2SLC6A4 | |
| SCHEMBL5987863 | 0.76 | HTR2A (0.44) | MAOAHTR2AHTR2CSLC6A2SLC6A4 | |
| SCHEMBL27842814 | 0.75 | MAOA (0.42) | CYP1A2NFKB1ALDH1A1MAOAMAOB | |
| SCHEMBL19354174 | 0.75 | MAOA (0.42) | CYP3A4NFKB1ALDH1A1LMNAMAOA | |
| SCHEMBL7250159 | 0.74 | CXCL8 (0.41) | CYP1A2CYP3A4ALDH1A1LMNAMAOA | |
| Hydrochloric Acid SCHEMBL5987923 | 0.74 | HTR2A (0.43) | MAOAHTR2AHTR2CSLC6A2SLC6A4 |
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 4 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 |
| 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 |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |