Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6019299 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL6018928 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL6018885 | 0.87 | ALDH1A1 (0.50) | ALDH1A1EPHX2NPC1RAB9AL3MBTL1 | |
| SCHEMBL6018878 | 0.87 | ALDH1A1 (0.50) | ALDH1A1EPHX2NPC1RAB9AL3MBTL1 | |
| SCHEMBL20501772 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL13470194 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL15511981 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDNPSR1HSD17B10 | |
| SCHEMBL6019021 | 0.86 | LTA4H (0.46) | ALDH1A1EPHX2NPC1RAB9ADRD2 | |
| SCHEMBL6019016 | 0.86 | LTA4H (0.46) | ALDH1A1EPHX2NPC1RAB9ADRD2 | |
| SCHEMBL3094987 | 0.83 | TSHR (0.50) | EPHX2L3MBTL1TDP1BCHELTA4H |
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 |
|---|---|---|---|---|---|---|---|
| CN-100503560-C | Substituted cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2009-06-24 | — | — | CN | disclosed |
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| CN-1604890-A | Substituted cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2005-04-06 | — | — | CN | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | ALDH1A1 629/4885MAPT 4787/4885HPGD 286/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | ALDH1A1 498/4885MAPT 4784/4885HPGD 183/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.