Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3713016 | 0.88 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AL3MBTL1CYP1A2 | |
| SCHEMBL1978719 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTRORCTHRBLMNA | |
| SCHEMBL10227971 | 0.76 | KMO (0.43) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL602672 | 0.70 | AKR1C3 (0.47) | ALDH1A1MAPTLMNAHPGDCYP1A2 | |
| SCHEMBL15383148 | 0.69 | CNR2 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL10227980 | 0.69 | RIPK2 (0.42) | ALDH1A1MAPTLMNAHPGDCYP1A2 | |
| SCHEMBL10227970 | 0.69 | RIPK2 (0.39) | ALDH1A1MAPTLMNAHPGDCYP1A2 | |
| SCHEMBL179444 | 0.69 | CYP2C19 (0.44) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL11844851 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL14862611 | 0.68 | L3MBTL1 (0.43) | ALDH1A1MAPTMEN1KMT2AL3MBTL1 |
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-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |