Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 6/20 | 0.59 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.59 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.59 |
| ▸ | F10 | P00742 | 2/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | ST14 | Q9Y5Y6 | 5/20 | 0.49 |
| ▸ | F2 | P00734 | 4/20 | 0.47 |
| ▸ | PRMT1 | Q99873 | 3/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.47 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.47 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10622182 | 0.90 | PRSS1 (0.61) | PRSS1PRSS2PRSS3F10LOXL2 | |
| SCHEMBL20610488 | 0.84 | PRSS1 (0.68) | PRSS1PRSS2PRSS3F10LOXL2 | |
| SCHEMBL9650566 | 0.83 | ESR1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| SCHEMBL9647294 | 0.83 | ESR1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| SCHEMBL9650482 | 0.83 | ESR1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| SCHEMBL9650583 | 0.83 | ESR1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| SCHEMBL9650690 | 0.83 | ESR1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| Hydrochloric Acid SCHEMBL11616157 | 0.81 | SPHK1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| Hydrochloric Acid SCHEMBL8402285 | 0.81 | SPHK1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 | |
| Hydrochloric Acid SCHEMBL1659845 | 0.81 | SPHK1 (0.58) | CHRM2CHRM5ADRA2AACHESLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121700-B1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2012-10-03 | — | — | EP | disclosed |
| EP-2033959-A1 | Tetrahydropyranoquinoline derivatives | Merck Patent GmbH (DE) | 2009-03-11 | — | — | EP | disclosed |
| WO-2008113452-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008080455-A1 | TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN | MERCK PATENT GMBH (DE) | 2008-07-10 | — | — | WO | disclosed |