Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29648452 | 0.77 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL7749803 | 0.77 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL276262 | 0.76 | MAOA (0.41) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL29370356 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL2874924 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL4436441 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL32689461 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL31375435 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL29444072 | 0.73 | NOS3 (0.45) | CES1MAOAMAOBCYP2A6PDPK1 | |
| SCHEMBL8053792 | 0.73 | CES1 (0.43) | CES1MAOAMAOBCYP2A6PDPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | 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-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | CRHR1, CRHR2, CRH | CES1 1681/4885MAOA 284/4885MAOB 253/4885 |
“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.