Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 11/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9872968 | 0.87 | MAOA (0.52) | TAAR1NOS1ALDH1A1TSHRHTR7 | |
| SCHEMBL989636 | 0.85 | ALDH1A1 (0.67) | TAAR1NOS1ALDH1A1TSHRACHE | |
| SCHEMBL2464280 | 0.83 | ALDH1A1 (0.54) | TAAR1NOS1ALDH1A1TSHRACHE | |
| SCHEMBL659100 | 0.82 | TAAR1 (0.70) | TAAR1DRD2DRD1NOS1ALDH1A1 | |
| Phenethylamine SCHEMBL3475887 | 0.82 | ALDH1A1 (0.71) | TAAR1ALDH1A1TSHRCYP2A6HTR2A | |
| SCHEMBL8494349 | 0.82 | ALDH1A1 (0.52) | TAAR1DRD2DRD1NOS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3957562 | 0.80 | TAAR1 (0.67) | TAAR1DRD2DRD1NOS1ALDH1A1 | |
| SCHEMBL10988696 | 0.80 | HTR7 (0.41) | TAAR1NOS1ALDH1A1TSHRACHE | |
| SCHEMBL7825553 | 0.80 | ALDH1A1 (0.50) | TAAR1NOS1ALDH1A1TSHRACHE | |
| SCHEMBL7027390 | 0.79 | AOC3 (0.52) | TAAR1DRD2DRD1ALDH1A1ACHE |
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 |