Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.70 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2911870 | 0.86 | TAAR1 (0.67) | TAAR1DRD2DRD1MAOBNOS1 | |
| Hydrochloric Acid SCHEMBL14157546 | 0.85 | TAAR1 (0.65) | TAAR1DRD2DRD1MAOBNOS1 | |
| SCHEMBL4454237 | 0.84 | KIF11 (0.49) | TAAR1MAOBNOS1KIF11HTR2A | |
| SCHEMBL18434546 | 0.83 | TAAR1 (0.73) | TAAR1DRD2DRD1MAOBNOS1 | |
| SCHEMBL40017 | 0.82 | TAAR1 (1.00) | TAAR1DRD2DRD1MAOBHTR2A | |
| SCHEMBL3177646 | 0.82 | KIF11 (0.50) | TAAR1KIF11HTR2AHTR2CHTR2B | |
| SCHEMBL24351980 | 0.81 | TAAR1 (0.61) | TAAR1DRD2DRD1MAOBNOS1 | |
| Hydrochloric Acid SCHEMBL27033001 | 0.81 | TAAR1 (0.71) | TAAR1DRD2DRD1MAOBNOS1 | |
| Iodide SCHEMBL31174197 | 0.81 | TAAR1 (0.96) | TAAR1DRD2DRD1MAOBHTR2A | |
| Methane SCHEMBL28404139 | 0.81 | TAAR1 (0.96) | TAAR1DRD2DRD1MAOBHTR2A |
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 |