Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 1.00 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2272684 | 0.86 | PARP1 (0.76) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| SCHEMBL8359575 | 0.80 | PARP1 (0.70) | PARP1TAAR1KDM4ESIRT2RAD52 | |
| SCHEMBL29466239 | 0.79 | TAAR1 (0.96) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| SCHEMBL169954 | 0.79 | TAAR1 (0.96) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| Hydrochloric Acid SCHEMBL2243782 | 0.77 | TAAR1 (1.00) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| Hydrochloric Acid SCHEMBL30741597 | 0.77 | TAAR1 (1.00) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| SCHEMBL2979137 | 0.77 | TAAR1 (0.73) | PARP1TAAR1HTR2AHTR2CKDM4E | |
| SCHEMBL20809207 | 0.77 | PARP1 (0.93) | PARP1KDM4ETNKSTNKS2KMT2A | |
| SCHEMBL29031856 | 0.77 | PARP1 (1.00) | PARP1KDM4ETNKSTNKS2 | |
| SCHEMBL30472323 | 0.77 | PARP1 (0.93) | PARP1KDM4ETNKSTNKS2KMT2A |
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-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| WO-2003014121-A9 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARM INC (US) | 2004-03-25 | — | — | WO | disclosed |
| WO-2003014121-A1 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARMACEUTICALS INC. (US) | 2003-02-20 | — | — | WO | disclosed |