Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.41 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640895 | 0.85 | PARP1 (0.52) | PARP1KMT2ACHIAMAPK1 | |
| Hydrochloric Acid SCHEMBL9755172 | 0.84 | PARP1 (0.51) | PARP1KMT2ACHIAMAPK1 | |
| E1501 SCHEMBL9639366 | 0.80 | PARP1 (0.46) | PARP1CSNK1A1ALDH1A1GRIN2BL3MBTL1 | |
| SCHEMBL9640454 | 0.79 | PARP1 (0.45) | PARP1TSHRCSNK1A1GRIN2BL3MBTL1 | |
| SCHEMBL9755185 | 0.78 | PARP1 (0.51) | PARP1MEN1KMT2ATP53CHIA | |
| SCHEMBL9639396 | 0.77 | PARP1 (0.48) | PARP1MEN1KMT2ATP53CHIA | |
| Acetic Acid SCHEMBL9639371 | 0.77 | HTR3E (0.53) | PARP1LMNASMN1; SMN2MAPTMEN1 | |
| Propionic Acid SCHEMBL9640459 | 0.76 | HTR3E (0.52) | PARP1LMNASMN1; SMN2MAPTCHIA | |
| SCHEMBL8917544 | 0.74 | HDAC1 (0.49) | SMN1; SMN2MEN1KMT2ATGM2GRIN2B | |
| SCHEMBL9639717 | 0.73 | PARP1 (0.45) | PARP1MEN1TSHRKMT2ACHIA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | claimed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | claimed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |