Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL297196 | 0.77 | TAAR1 (0.52) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL14616181 | 0.76 | TAAR1 (0.46) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL3482967 | 0.73 | TAAR1 (0.48) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL6582 | 0.72 | TAAR1 (0.43) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL15304790 | 0.71 | TAAR1 (0.46) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL168282 | 0.71 | TAAR1 (0.46) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL29767673 | 0.71 | TAAR1 (0.46) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| Water SCHEMBL27705116 | 0.70 | TAAR1 (0.45) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| Formamide SCHEMBL28126460 | 0.70 | TAAR1 (0.50) | TAAR1CTBP2ALDH1A1TSHRCHRM2 | |
| SCHEMBL40576 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983226-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052906-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 1998-11-26 | — | — | WO | disclosed |