Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29195596 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL16765361 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL31309568 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL5790134 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL19465332 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL1868761 | 1.00 | FUCA1 (0.44) | FUCA1ALDH1A1MAPTGBA1BCHE | |
| SCHEMBL14428316 | 0.87 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL6802012 | 0.87 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL5387740 | 0.87 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL25595506 | 0.86 | HRH3 (0.46) | FUCA1ALDH1A1MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518952-B2 | 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors | PFIZER INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| EP-2328890-B1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER (US) | 2012-01-25 | — | — | EP | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-20110144084-A1 | 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC (US) | 2011-06-16 | — | — | US | disclosed |
| US-20110144084-A1 | 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC (US) | 2011-06-16 | — | — | US | disclosed |
| EP-2328890-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | Pfizer Inc. (US) | 2011-06-08 | — | — | EP | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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 (4 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-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | FUCA1 1720/4885ALDH1A1 1516/4885MAPT 4611/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | FUCA1 1720/4885ALDH1A1 1516/4885MAPT 4611/4885 |
| US-20110144084-A1 | 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | CHKA, CSNK1A1, CHKB | FUCA1 2297/4885ALDH1A1 2651/4885MAPT 4388/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | FUCA1 1720/4885ALDH1A1 1516/4885MAPT 4611/4885 |
“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.