Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.47 |
| ▸ | HEXA | P06865 | 1/20 | 0.44 |
| ▸ | HEXB | P07686 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PRKCA | P17252 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL9622936 | 0.84 | TERT (0.52) | PARP1HEXAHEXBNQO1MAPT | |
| Hydrochloric Acid SCHEMBL9622732 | 0.83 | TERT (0.51) | PARP1HEXAHEXBNQO1MAPT | |
| SCHEMBL8133497 | 0.83 | SIRT1 (0.49) | PARP1CHEK1HEXAHEXBNQO1 | |
| SCHEMBL9622806 | 0.82 | NQO1 (0.67) | PARP1CHEK1NQO1MAPTMEN1 | |
| SCHEMBL9622882 | 0.81 | MEN1 (0.48) | CHEK1MAPTMEN1NPC1RAB9A | |
| SCHEMBL5828670 | 0.80 | PARP1 (0.59) | PARP1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7985172 | 0.80 | SIRT1 (0.44) | PARP1CHEK1HEXAHEXBNQO1 | |
| SCHEMBL6229657 | 0.79 | PRKCA (0.63) | PARP1CHEK1NQO1MAPTMEN1 | |
| SCHEMBL8560926 | 0.77 | PARP1 (0.39) | PARP1CHEK1NQO1MAPTMEN1 | |
| SCHEMBL8555782 | 0.77 | PARP1 (0.41) | PARP1CHEK1HEXAHEXBNQO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | claimed |