Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6305288 | 0.87 | PARP1 (0.88) | PARP1HSD17B10MAPTTSHRTP53 | |
| SCHEMBL6989623 | 0.86 | PARP1 (0.78) | PARP1HSD17B10MAPTTSHRROCK2 | |
| SCHEMBL532477 | 0.86 | PARP1 (1.00) | PARP1HSD17B10ALOX15TP53POLB | |
| SCHEMBL6302991 | 0.86 | PARP1 (0.90) | PARP1TP53POLBPDE3BPDE3A | |
| SCHEMBL6310170 | 0.84 | PARP1 (0.95) | PARP1HSD17B10ALOX15TP53POLB | |
| SCHEMBL532908 | 0.83 | PARP1 (0.55) | PARP1HSD17B10MAPTTSHRALDH1A1 | |
| SCHEMBL6302733 | 0.82 | PARP1 (0.78) | PARP1HSD17B10MAPTTSHRTP53 | |
| SCHEMBL7000091 | 0.82 | PARP1 (0.78) | PARP1PDGFRBKDRTP53PDE3B | |
| SCHEMBL6996295 | 0.82 | PARP1 (0.78) | PARP1HSD17B10PDGFRBKDRTP53 | |
| SCHEMBL7003151 | 0.81 | PARP1 (0.81) | PARP1TSHRTP53POLBPDE3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |