Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.40 |
| ▸ | CBFB | Q13951 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 5/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6587307 | 0.90 | PARP1 (0.42) | PARP1CBFBTP53ALOX15SMN1; SMN2 | |
| SCHEMBL3159962 | 0.81 | PARP1 (0.61) | PARP1DHODHCHEK2PLK4MAPK13 | |
| Hydrochloric Acid SCHEMBL6802006 | 0.80 | PARP1 (0.60) | PARP1DHODHCHEK2PLK4MAPK13 | |
| SCHEMBL7467934 | 0.74 | PARP1 (0.44) | PARP1HPSEDHODHCHEK2PLK4 | |
| SCHEMBL5879554 | 0.72 | SMN1; SMN2 (0.68) | TP53ALOX15SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL3159681 | 0.70 | PARP1 (0.56) | PARP1DHODHCHEK2PLK4MAPK13 | |
| SCHEMBL6384512 | 0.68 | PARP1 (0.56) | PARP1ALOX15HPSEDHODHCHEK2 | |
| SCHEMBL7853256 | 0.67 | PARP1 (0.65) | PARP1ALOX15HPSEDHODHPKN1 | |
| SCHEMBL6590890 | 0.67 | METAP2 (0.50) | PARP1CBFBTP53ALOX15SMN1; SMN2 | |
| SCHEMBL4975273 | 0.67 | PARP1 (0.40) | PARP1TP53ALOX15SMN1; SMN2ALDH1A1 |
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-1177178-A1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |
| WO-2000068206-A1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |