Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8933166 | 0.98 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL6223489 | 0.94 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL2330804 | 0.94 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Hydrochloric Acid SCHEMBL902096 | 0.92 | ALDH1A1 (0.38) | SLC6A3SLC6A2ALDH1A1LMNATSHR | |
| SCHEMBL9998422 | 0.90 | EPHX1 (0.36) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL16191692 | 0.88 | EPHX1 (0.35) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL27508951 | 0.85 | MEN1 (0.40) | LMNATSHR | |
| Hydrochloric Acid SCHEMBL10369158 | 0.81 | ALDH1A1 (0.34) | SLC6A3SLC6A2ALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL8722589 | 0.81 | ALDH1A1 (0.34) | SLC6A3SLC6A2ALDH1A1LMNATSHR | |
| SCHEMBL8315133 | 0.79 | GAA (0.33) | SLC6A3SLC6A2SLC6A4DHFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0349748-B1 | SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES | BAYER AG (DE) | 1992-11-19 | — | — | EP | disclosed |
| EP-0384192-A2 | N-Aryl nitrogen heterocycles having fluorine-containing substituents | BAYER AG (DE) | 1990-08-29 | — | — | EP | disclosed |
| EP-0349748-A1 | Substituted N-aryl-nitrogen containing heterocycles | BAYER AG (DE) | 1990-01-10 | — | — | EP | disclosed |