Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7943458 | 0.91 | GLRA3 (0.37) | CYP3A4CA2NR1H4TDP1ATM | |
| SCHEMBL246897 | 0.85 | TDP1 (0.40) | CYP3A4CA2TDP1ATMPOLB | |
| SCHEMBL28079925 | 0.83 | CYP3A4 (0.46) | CYP3A4CA2TDP1MAPTALDH1A1 | |
| Vinyl Ether SCHEMBL23088820 | 0.81 | TDP1 (0.37) | CYP3A4CA2TDP1ATMPOLB | |
| Acetic Acid SCHEMBL8519656 | 0.81 | TDP1 (0.40) | CYP3A4TDP1ATMPOLBMAPT | |
| Fumaric Acid SCHEMBL7563314 | 0.79 | SMN1; SMN2 (0.40) | CYP3A4TDP1ATMPOLBMAPT | |
| Fumaric Acid SCHEMBL7563318 | 0.79 | SMN1; SMN2 (0.40) | CYP3A4TDP1ATMPOLBMAPT | |
| SCHEMBL363479 | 0.77 | MAPT (0.41) | CA2NR1H4TDP1ATMPOLB | |
| SCHEMBL1899482 | 0.75 | CYP3A4 (0.37) | CYP3A4CA2TDP1ATMPOLB | |
| SCHEMBL15175 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1ALDH1A1TSHRHSD17B10 |
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-6300416-B1 | USEFUL AS TIRE SIDEWALL OR TIRE TREAD; STRENGTH PROPERTIES AND BENDING FATIGUE RESISTANCE AND LOW FUEL CONSUMPTION | MITSUI CHEMICALS, INC. (JP) | 2001-10-09 | — | — | US | disclosed |
| CN-1216055-A | RUBBER COMPOSITIONS FOR TIRES | MITSUI CHEMICALS INC (JP) | 1999-05-05 | — | — | CN | disclosed |
| EP-0889091-A1 | RUBBER COMPOSITIONS FOR TIRES | Mitsui Chemicals, Inc. (JP) | 1999-01-07 | — | — | EP | disclosed |