Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28163413 | 0.84 | ESR1 (0.42) | CYP1A2SLC7A5SLC6A2TAAR1 | |
| SCHEMBL27943493 | 0.75 | — | — | |
| SCHEMBL995320 | 0.73 | CYP1A2 (0.38) | IDO1CYP1A2TRPA1EPHX1ALPI | |
| SCHEMBL28163409 | 0.70 | — | — | |
| SCHEMBL28164077 | 0.70 | — | — | |
| SCHEMBL27813115 | 0.68 | SLC6A2 (0.48) | CYP1A2SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL27946805 | 0.68 | SLC6A2 (0.48) | CYP1A2SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL27833164 | 0.67 | SLC6A2 (0.47) | CYP1A2SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL28118004 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL60038 | 0.66 | ALDH1A1 (0.46) | TAAR1 |
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-2007044796-A2 | PYRIDAZINONE COMPOUNDS AS CALCILYTICS | NPS PHARMACEUTICALS, INC. (US) | 2007-04-19 | — | — | WO | disclosed |