Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | SELL | P14151 | 2/20 | 0.42 |
| ▸ | SELP | P16109 | 2/20 | 0.42 |
| ▸ | SELE | P16581 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL753186 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAABTKSELLSELP | |
| SCHEMBL753965 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAABTKSELLSELP | |
| SCHEMBL756367 | 0.90 | BTK (0.56) | ALDH1A1GAABTKSELLSELP | |
| SCHEMBL18526462 | 0.90 | BTK (0.56) | ALDH1A1GAABTKSELLSELP | |
| SCHEMBL754127 | 0.90 | BTK (0.56) | ALDH1A1GAABTKSELLSELP | |
| SCHEMBL2050427 | 0.87 | — | — | |
| SCHEMBL8464579 | 0.87 | EPHX1 (0.46) | ALDH1A1TSHREPHX1POLBNPSR1 | |
| SCHEMBL890157 | 0.83 | EPHX2 (0.42) | ALDH1A1GAABTKTSHREPHX1 | |
| SCHEMBL12436835 | 0.83 | EPHX2 (0.42) | ALDH1A1GAABTKTSHREPHX1 | |
| SCHEMBL890177 | 0.83 | EPHX2 (0.42) | ALDH1A1GAABTKTSHREPHX1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| EP-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2513091-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-04-12 | — | — | EP | disclosed |
| EP-2499132-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-02-15 | — | — | EP | disclosed |
| EP-2336105-B9 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-09-17 | — | — | EP | disclosed |
| EP-2435429-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-07-02 | — | — | EP | disclosed |
| EP-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |
| US-8592454-B2 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| US-8063075-B2 | Pyrrolidine ether derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2294063-B1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-11-02 | — | — | EP | disclosed |
| US-20110190267-A1 | PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| EP-2336105-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | Takeda Pharmaceutical Company Limited (JP) | 2011-06-22 | — | — | EP | disclosed |
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-12-10 | — | — | US | 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 (3 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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | ALDH1A1 3648/4885GAA 4829/4885BTK 1928/4885 |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | ALDH1A1 979/4885GAA 1113/4885BTK 1658/4885 |
| US-20110190267-A1 | PRODRUGS OF OPIOIDS AND USES THEREOF | OPRK1, OPRL1, OPRM1 | ALDH1A1 225/4885GAA 1081/4885BTK 4184/4885 |
“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.