Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6721524 | 0.86 | RXRA (0.35) | NOTUMMEN1KMT2AMAPTHPGD | |
| SCHEMBL6721464 | 0.85 | KDM4E (0.35) | NOTUMMEN1KMT2AHPGDLMNA | |
| SCHEMBL6756227 | 0.82 | TSHR (0.40) | KMT2AMAPTHPGDTSHRKDM4E | |
| SCHEMBL9037686 | 0.72 | RXRA (0.35) | NOTUMCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6962822 | 0.71 | RARA (0.39) | MEN1KMT2AHPGDLMNACYP1A2 | |
| SCHEMBL6726207 | 0.71 | RXRA (0.35) | NOTUMMEN1KMT2APGRHTR1A | |
| SCHEMBL8133679 | 0.70 | MAPK1 (0.30) | — | |
| SCHEMBL8119745 | 0.70 | KDM4E (0.34) | NOTUMMEN1KMT2AHPGDPGR | |
| SCHEMBL6725367 | 0.69 | RXRA (0.35) | NOTUMMEN1KMT2AMAPTHPGD | |
| SCHEMBL8128418 | 0.67 | KDM4E (0.33) | NOTUMMEN1KMT2AMAPTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1044973-B1 | Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives | AMERICAN CYANAMID CO (US) | 2003-10-08 | — | — | EP | disclosed |
| US-6180797-B1 | MULTISTAGE REACTION AND HYDROLYSIS TO FORM HERBICIDES | AMERICAN CYANAMID CO. | 2001-01-30 | — | — | US | disclosed |
| EP-1044973-A2 | Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives | American Cyanamid Company (US) | 2000-10-18 | — | — | EP | disclosed |