Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | CFD | P00746 | 1/20 | 0.47 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.43 |
| ▸ | FPR3 | P25089 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23254961 | 0.86 | TPSAB1 (0.61) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL2777304 | 0.85 | PDK1 (0.48) | CYP1A2CYP2D6CYP2C19MLYCDALDH1A1 | |
| Hydrochloric Acid SCHEMBL23148228 | 0.85 | TPSAB1 (0.59) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL624565 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL13501586 | 0.84 | HDAC3 (0.50) | CYP1A2CYP2D6CYP2C19MLYCDALDH1A1 | |
| SCHEMBL2252763 | 0.84 | NAMPT (0.47) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL15680103 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL7663169 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19MLYCDENPP2 | |
| SCHEMBL13738172 | 0.82 | SRC (0.54) | MLYCDALDH1A1HPGD | |
| SCHEMBL30491754 | 0.81 | F10 (0.56) | HTR2CMLYCDENPP2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101878-B1 | Non-peptide GNRH agents, methods and intermediates for their preparation | AGOURON PHARMACEUTICALS, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| EP-1105120-B1 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMA (US) | 2005-03-23 | — | — | EP | disclosed |
| EP-1401427-A4 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMA (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-1401427-A2 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | Agouron Pharmaceuticals, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002098363-A2 | NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |
| EP-1105120-A4 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMA (US) | 2001-12-19 | — | — | EP | disclosed |
| EP-1105120-A2 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000020358-A2 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | disclosed |