Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 8/20 | 0.42 |
| ▸ | PPARA | Q07869 | 6/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL21680837 | 0.93 | ALDH1A1 (0.45) | MMP3BCL2L1ALDH1A1CYP1A2GAA | |
| SCHEMBL7707561 | 0.86 | MMP3 (0.44) | MMP3BCL2L1ALDH1A1CYP1A2GAA | |
| SCHEMBL30883096 | 0.85 | LTA4H (0.45) | ALDH1A1CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL132913 | 0.85 | LTA4H (0.45) | ALDH1A1CYP2C9CYP2C19CA1CA2 | |
| Hydrochloric Acid SCHEMBL9814237 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 | |
| SCHEMBL28345841 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 | |
| SCHEMBL28831578 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 | |
| SCHEMBL7009097 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 | |
| SCHEMBL8978293 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 | |
| Phosphine SCHEMBL28033415 | 0.82 | LTA4H (0.43) | ALDH1A1CA1CA2FFAR1 |
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-6579829-B2 | Aromatic sulfonamide compound | MITSUI CHEMICALS, INC. (JP) | 2003-06-17 | — | — | US | disclosed |
| US-20010036903-A1 | Developer composition and heat sensitive recording material | MITSUI CHEMICALS, INC. (JP) | 2001-11-01 | — | — | US | disclosed |
| EP-1138517-A2 | Developer composition and heat sensitive recording material | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |