Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477945 | 0.79 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRGPR35MEN1 | |
| SCHEMBL5848206 | 0.77 | CYP3A4 (0.34) | CYP1A2ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL9557695 | 0.76 | MAPT (0.51) | CYP1A2ALDH1A1TSHRCYP3A4PLAU | |
| SCHEMBL374655 | 0.76 | CYP3A4 (0.40) | CYP1A2ALDH1A1TSHRCYP3A4KMT2A | |
| SCHEMBL9126222 | 0.76 | TDP1 (0.51) | CYP1A2ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL4078018 | 0.75 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL1124773 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4PLAUGPR35 | |
| SCHEMBL295315 | 0.73 | CYP3A4 (0.47) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11468798 | 0.73 | CYP3A4 (0.40) | CYP1A2ALDH1A1TSHRCYP3A4KMT2A | |
| SCHEMBL93536 | 0.73 | CYP3A4 (0.54) | CYP1A2TSHRCYP3A4TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011936-A | Using composite salt consisting of at least two of silica, magnesia and alumina | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-04-30 | — | — | US | disclosed |
| US-4923951-A | DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-05-08 | — | — | US | disclosed |
| EP-0328342-A2 | Process for producing aromatic polyamides | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-08-16 | — | — | EP | disclosed |