Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708231 | 0.92 | CA2 (0.39) | CA2PPARGPPARACA1CA4 | |
| SCHEMBL7708221 | 0.80 | PARP1 (0.40) | PARP1ALDH1A1LMNATP53MAPT | |
| SCHEMBL7713283 | 0.78 | PARP1 (0.40) | PARP1ALDH1A1LMNATP53MAPT | |
| SCHEMBL7710783 | 0.78 | PPARG (0.39) | PPARGPPARAALDH1A1LMNATP53 | |
| SCHEMBL7095139 | 0.78 | CA2 (0.41) | CA2CA1CA4CA7CA9 | |
| SCHEMBL7713294 | 0.76 | PARP1 (0.42) | PARP1ALDH1A1LMNATP53PKM | |
| SCHEMBL7713338 | 0.76 | PARP1 (0.42) | PPARGPPARAPARP1ALDH1A1TP53 | |
| SCHEMBL7708144 | 0.76 | PARP1 (0.42) | PARP1ALDH1A1LMNATP53HPGD | |
| SCHEMBL7713374 | 0.76 | PARP1 (0.50) | PARP1ALDH1A1LMNATP53MAPT | |
| SCHEMBL7708475 | 0.75 | — | — |
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-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 |