Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8432 | 0.81 | HSPB1 (0.52) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL5847946 | 0.79 | HSPB1 (0.50) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL584368 | 0.79 | HSPB1 (0.50) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL19295399 | 0.78 | KMT2A (0.56) | MAPTALDH1A1GAATHRBMEN1 | |
| SCHEMBL10638650 | 0.77 | MAPT (0.45) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL11802013 | 0.76 | HSPB1 (0.47) | HSPB1CA1CA2CA9CES2 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.75 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL9183872 | 0.75 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL11689190 | 0.75 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL2011179 | 0.75 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 |
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-1802726-B1 | PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF | ADVANCED POLYMERIK PTY LTD (AU) | 2011-11-30 | — | — | EP | claimed |
| EP-1753512-B1 | TETRAHYDROPYRIDOTHIOPHENES | NYCOMED GMBH (DE) | 2008-07-09 | — | — | EP | claimed |