Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.40 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MPG | P29372 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2337242 | 0.78 | TAAR1 (0.59) | TAAR1HRH3HRH4CYP2D6PKM | |
| Trifluoroacetic Acid SCHEMBL7363253 | 0.74 | HRH3 (0.55) | HRH3HRH4HRH1 | |
| SCHEMBL27574319 | 0.74 | DRD2 (0.41) | CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL14993193 | 0.72 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL4397329 | 0.71 | F10 (0.51) | HRH4 | |
| Hydrochloric Acid SCHEMBL1306753 | 0.71 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL30282988 | 0.70 | KDM4E (0.37) | CYP2D6ALDH1A1CYP3A4TSHRNFKB1 | |
| SCHEMBL21133356 | 0.70 | MPG (0.43) | TAAR1HRH3HRH4FNTAFNTB | |
| SCHEMBL92331 | 0.69 | L3MBTL1 (0.56) | CYP2D6ALDH1A1TSHR | |
| SCHEMBL17525758 | 0.69 | TAAR1 (0.46) | TAAR1HRH3HRH4PKMMPG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001007437-A1 | CRYSTAL FORMS OF 1-(3-CHLOROPHENYL)-4-[1-(4-CYANOBENZYL)-5-IMIDAZOLYLMETHYL]-2-PIPERAZINONE | MERCK & CO., INC. (US) | 2001-02-01 | — | — | WO | disclosed |
| WO-2000001691-A1 | PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |