Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KISS1R | Q969F8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2293073 | 1.00 | KISS1R (0.50) | KISS1RALDH1A1TDP1CA2FFAR1 | |
| SCHEMBL669945 | 0.80 | GRIK1 (0.42) | KISS1RALDH1A1TDP1CA2FFAR1 | |
| SCHEMBL2293162 | 0.78 | ALDH1A1 (0.40) | KISS1RALDH1A1TDP1CA2FFAR1 | |
| SCHEMBL2291529 | 0.78 | KISS1R (0.48) | KISS1RALDH1A1TDP1CA2CYP2C19 | |
| SCHEMBL2293164 | 0.78 | ALDH1A1 (0.40) | KISS1RALDH1A1TDP1CA2FFAR1 | |
| SCHEMBL2291525 | 0.78 | KISS1R (0.48) | KISS1RALDH1A1TDP1CA2CYP2C19 | |
| SCHEMBL5593076 | 0.75 | ALDH1A1 (0.37) | KISS1RALDH1A1TDP1CA2FFAR1 | |
| SCHEMBL18934322 | 0.72 | KISS1R (0.43) | KISS1RALDH1A1TDP1CA2GRIK1 | |
| SCHEMBL18934323 | 0.72 | KISS1R (0.66) | KISS1RALDH1A1TDP1CA2CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL9784665 | 0.69 | ALDH1A1 (0.78) | KISS1RALDH1A1TDP1CA2FFAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976512-B1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| US-8003800-B2 | Thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-08-23 | — | — | US | disclosed |
| US-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-23 | — | — | US | disclosed |
| EP-1976512-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | 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 (1 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-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | S1PR3, S1PR1, S1PR2 | KISS1R 277/4885ALDH1A1 1713/4885TDP1 1373/4885 |
“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.