Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.57 |
| ▸ | PARP2 | Q9UGN5 | 8/20 | 0.57 |
| ▸ | PARP3 | Q9Y6F1 | 8/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GGT1 | P19440 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27738223 | 0.87 | PARP1 (0.60) | PARP1PARP2PARP3LMNASMN1; SMN2 | |
| SCHEMBL5708210 | 0.85 | PARP1 (0.47) | PARP1PARP2PARP3ADORA3KDM4E | |
| SCHEMBL27738245 | 0.84 | MAPT (0.45) | PARP1PARP2PARP3ADORA3LMNA | |
| SCHEMBL27892019 | 0.83 | PARP1 (0.65) | PARP1PARP2PARP3 | |
| SCHEMBL27908942 | 0.81 | PARP1 (0.67) | PARP1PARP2PARP3ADORA3ADORA1 | |
| SCHEMBL28804178 | 0.81 | PARP1 (0.52) | PARP1PARP2PARP3ADORA3ADORA2A | |
| SCHEMBL27759046 | 0.80 | PARP1 (0.40) | PARP1PARP2PARP3ADORA3ADORA2A | |
| SCHEMBL27738177 | 0.79 | PARP1 (0.39) | PARP1PARP2PARP3TSHR | |
| SCHEMBL6216202 | 0.77 | KMT2A (0.47) | LMNASMN1; SMN2KDM4EALDH1A1ESR1 | |
| SCHEMBL1195916 | 0.77 | NPC1 (0.47) | ADORA3LMNASMN1; SMN2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101415686-B | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO | 2013-03-13 | — | — | CN | disclosed |
| CN-101415686-A | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO (IT) | 2009-04-22 | — | — | CN | disclosed |