Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | RARG | P13631 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7839850 | 0.84 | RARA (0.41) | RARARARBRARGTSHRKMT2A | |
| SCHEMBL7597895 | 0.75 | — | — | |
| SCHEMBL6721464 | 0.73 | KDM4E (0.35) | RARARARBRARGKDM4EHSD17B10 | |
| SCHEMBL16096072 | 0.71 | NPC1 (0.33) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL7620903 | 0.68 | MCL1 (0.36) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL7468595 | 0.68 | RARA (0.42) | RARARARBRARGTSHRKDM4E | |
| SCHEMBL27703149 | 0.68 | TSHR (0.61) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL756585 | 0.68 | TSHR (0.61) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| Benzene SCHEMBL27265959 | 0.68 | TSHR (0.61) | TSHRKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL31389208 | 0.67 | CYP1A2 (0.58) | TSHRKDM4EHSD17B10ALDH1A1HPGD |
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 |