Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1663484 | 0.84 | PTK2 (0.46) | ALDH1A1PTK2TSHRL3MBTL1ALOX15 | |
| SCHEMBL6952749 | 0.81 | KDM4E (0.45) | ALDH1A1PTK2TSHRL3MBTL1HSD17B10 | |
| SCHEMBL6304807 | 0.79 | TSHR (0.52) | ALDH1A1PTK2TSHRL3MBTL1ALOX15 | |
| SCHEMBL18463875 | 0.78 | PTK2 (0.37) | PTK2TSHRL3MBTL1DYRK1A | |
| SCHEMBL3429404 | 0.78 | PTK2 (0.44) | ALDH1A1PTK2TSHRL3MBTL1HSD17B10 | |
| SCHEMBL8256835 | 0.75 | SYK (0.37) | PTK2TSHRL3MBTL1MEN1KMT2A | |
| SCHEMBL4903460 | 0.75 | BRD4 (0.50) | ALDH1A1BRD4TSHRL3MBTL1ALOX15 | |
| SCHEMBL18464480 | 0.74 | PTK2 (0.35) | PTK2BRD4TSHRL3MBTL1ALOX15 | |
| SCHEMBL7367371 | 0.74 | NTRK3 (0.42) | MEN1KMT2AMAPTKDM4ENPC1 | |
| SCHEMBL17354057 | 0.74 | DYRK1A (0.36) | ALDH1A1PTK2BRD4TSHRL3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1210328-A1 | FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-06-05 | — | — | EP | claimed |
| WO-2001016103-A1 | FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2001-03-08 | — | — | WO | claimed |
| EP-0725775-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1996-08-14 | — | — | EP | claimed |
| WO-1995011885-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1995-05-04 | — | — | WO | claimed |
| EP-0725775-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1996-08-14 | — | — | EP | disclosed |
| WO-1995011885-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1995-05-04 | — | — | WO | disclosed |