Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL19239575 | 0.90 | EPHX1 (0.35) | CYP2C9CYP2C19PKMSMN1; SMN2EPHX1 | |
| SCHEMBL10106984 | 0.80 | CYP2C9 (0.49) | CYP2C9CYP2C19GLATSHRALDH1A1 | |
| SCHEMBL11982366 | 0.77 | MEN1 (0.43) | ALDH1A1 | |
| SCHEMBL7909626 | 0.76 | PKM (0.36) | PKMSMN1; SMN2EPHX1GLACHRNB2 | |
| SCHEMBL16146012 | 0.74 | EPHX1 (0.41) | SMN1; SMN2EPHX1TSHRHTR2CMTNR1A | |
| SCHEMBL13625209 | 0.73 | MEN1 (0.38) | ALDH1A1 | |
| SCHEMBL22606460 | 0.70 | CHRNB2 (0.34) | PKMSMN1; SMN2EPHX1CHRNB2CHRNA4 | |
| SCHEMBL13625206 | 0.70 | EPHX1 (0.50) | SMN1; SMN2EPHX1 | |
| SCHEMBL8290413 | 0.69 | — | — | |
| SCHEMBL7904682 | 0.69 | TDP1 (0.54) | SMN1; SMN2EPHX1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9000219-B2 | Method for treatment of isocyanate residue, and method for treatment of carbonate | MITSUI CHEMICALS, INC. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20120271067-A1 | METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE | MITSUI CHEMICALS, INC. | 2012-10-25 | — | — | US | disclosed |
| US-6204409-B1 | RAW MATERIAL FOR BLOCK ISOCYANATE, DIISOCYANATE, DEVELOPING AGENT FOR THERMOSENSIBLE PAPER, POWDER PAINT AND THE LIKE | MITSUI CHEMICALS, INC. (JP) | 2001-03-20 | — | — | US | disclosed |
| EP-0990644-A1 | NOVEL URETHANE COMPOUNDS AND PROCESS FOR PRODUCING POLYCYCLIC ALIPHATIC DIISOCYANATE | Mitsui Chemicals, Inc. (JP) | 2000-04-05 | — | — | EP | disclosed |