Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3629110 | 0.85 | TSHR (0.48) | PDK1TSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL3601386 | 0.82 | PDK1 (0.55) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL28072931 | 0.78 | GAA (0.53) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL3065409 | 0.74 | GAA (0.63) | PDK1GAATSHRRAB9AHTT | |
| SCHEMBL5482146 | 0.74 | KMT2A (0.67) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL1927016 | 0.74 | ALDH1A1 (0.69) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL3061505 | 0.73 | TSHR (0.70) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL3061506 | 0.73 | RAB9A (0.55) | PDK1GAATSHRNPC1RAB9A | |
| SCHEMBL24212340 | 0.73 | PDK1 (0.47) | PDK1GAATSHRRAB9AALDH1A1 | |
| SCHEMBL3056327 | 0.71 | PDK1 (0.55) | PDK1GAATSHRNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2146970-A1 | PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS | Novartis Ag (CH) | 2010-01-27 | — | — | EP | claimed |
| WO-2008125627-A1 | PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS | NOVARTIS AG (CH) | 2008-10-23 | — | — | WO | claimed |