Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13907669 | 0.88 | GSK3B (0.39) | GSK3BALDH1A1CCR5ADRB2LMNA | |
| SCHEMBL11179265 | 0.80 | ESR1 (0.39) | GSK3BALDH1A1ADRB2KMT2A | |
| SCHEMBL11621429 | 0.79 | TTR (0.40) | TTRGSK3BTPMTALDH1A1ADRB2 | |
| Hydrochloric Acid SCHEMBL11624379 | 0.79 | TTR (0.40) | TTRGSK3BTHRATHRBTPMT | |
| SCHEMBL13907703 | 0.78 | GAA (0.45) | ALDH1A1CCR5ADRB2LMNAGBA1 | |
| SCHEMBL11156879 | 0.78 | ESR1 (0.42) | ALDH1A1ADRB2LMNACYP1A2RAB9A | |
| SCHEMBL11163314 | 0.77 | ESR1 (0.41) | ALDH1A1ADRB2LMNACYP1A2RAB9A | |
| SCHEMBL11154050 | 0.77 | ESR1 (0.41) | ALDH1A1ADRB2LMNACYP1A2CYP2D6 | |
| SCHEMBL11164947 | 0.76 | ESR1 (0.41) | ALDH1A1ADRB2LMNACYP1A2CYP2D6 | |
| SCHEMBL27817855 | 0.74 | TTR (0.47) | TTRGSK3BTHRATHRBTPMT |
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-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |