Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 1.00 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8362901 | 0.94 | PARP1 (1.00) | PARP1TAAR1KDM4EALDH1A1HPGD | |
| SCHEMBL8359714 | 0.92 | PARP1 (0.84) | PARP1TAAR1KDM4EALDH1A1 | |
| SCHEMBL8362893 | 0.91 | PARP1 (0.83) | PARP1TAAR1KDM4EALDH1A1 | |
| SCHEMBL8362897 | 0.91 | PARP1 (0.83) | PARP1TAAR1KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL8363089 | 0.87 | PARP1 (1.00) | PARP1KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL8359596 | 0.86 | PARP1 (0.75) | PARP1TAAR1KDM4EALDH1A1 | |
| SCHEMBL8362899 | 0.85 | PARP1 (0.84) | PARP1TAAR1KDM4EALDH1A1HPGD | |
| SCHEMBL14444067 | 0.84 | PARP1 (0.73) | PARP1TAAR1KDM4EALDH1A1 | |
| SCHEMBL8362895 | 0.84 | PARP1 (0.82) | PARP1TAAR1KDM4EALDH1A1 | |
| SCHEMBL8359597 | 0.83 | PARP1 (0.74) | PARP1TAAR1KDM4EALDH1A1 |
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 |