Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | BHMT | Q93088 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6323330 | 0.86 | ALDH1A1 (0.44) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL9857525 | 0.83 | — | — | |
| SCHEMBL7524425 | 0.81 | ALDH1A1 (0.42) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL7523035 | 0.79 | KDM4E (0.50) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL7936994 | 0.79 | HSD17B10 (0.42) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL9378006 | 0.78 | CTSD (0.35) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL9375286 | 0.77 | — | — | |
| SCHEMBL8497250 | 0.76 | KDM4E (0.52) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL13302372 | 0.75 | KDM4E (0.43) | ALDH1A1POLBKDM4ECTSDKDM5C | |
| SCHEMBL9956359 | 0.72 | ALDH1A1 (0.37) | ALDH1A1POLBKDM4ECTSDKDM5C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1196676-C | Polyisocyanic acid ester | MITSUI CHEMICALS INC (JP) | 2005-04-13 | — | — | CN | disclosed |
| EP-0713105-B1 | Composition for optical materials and use thereof | MITSUI CHEMICALS INC (JP) | 2002-03-13 | — | — | EP | disclosed |
| CN-1332155-A | Polyisocyanic acid ester | MITSUI CHEMICALS INC (JP) | 2002-01-23 | — | — | CN | disclosed |
| CN-1070891-C | composition for optical material and use thereof | MITSUI TOATSU CHEMICALS (JP) | 2001-09-12 | — | — | CN | disclosed |
| US-5756766-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5652321-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-29 | — | — | US | disclosed |
| CN-1126735-A | composition for optical material and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1996-07-17 | — | — | CN | disclosed |
| EP-0713105-A2 | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-05-22 | — | — | EP | disclosed |