Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1172136 | 0.98 | MIF (0.60) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL1330511 | 0.98 | MIF (0.60) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL5966 | 0.98 | MIF (0.60) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| Hydrogen Sulfide SCHEMBL2772168 | 0.95 | MIF (0.58) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL28217842 | 0.91 | MIF (0.54) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| Cyanide SCHEMBL28125462 | 0.91 | ALDH1A1 (0.54) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL28983345 | 0.91 | MIF (0.54) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| Butane SCHEMBL27917654 | 0.89 | ALDH1A1 (0.52) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| SCHEMBL1162533 | 0.89 | TRPA1 (0.52) | MIFALDH1A1TRPA1CYP3A4HPGD | |
| Benzylamine SCHEMBL25166822 | 0.87 | LOXL2 (0.56) | MIFALDH1A1TRPA1CYP3A4HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997024328-A1 | 2-AMINO-HETEROCYCLES AND THERAPEUTIC USES THEREFOR | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-10 | — | — | WO | disclosed |