Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RHOC | P08134 | 2/20 | 0.40 |
| ▸ | RHOA | P61586 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4783999 | 0.91 | KDM4E (0.50) | ALDH1A1KDM4EL3MBTL1MAPTRHOC | |
| SCHEMBL4784173 | 0.90 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1TP53MAPT | |
| SCHEMBL4783442 | 0.86 | MAPT (0.47) | ALDH1A1KDM4EL3MBTL1TP53MAPT | |
| SCHEMBL4781085 | 0.86 | TACR1 (0.40) | ALDH1A1KDM4EL3MBTL1RHOCRHOA | |
| SCHEMBL4785528 | 0.73 | TACR1 (0.46) | RHOCRHOATACR1 | |
| SCHEMBL4781278 | 0.72 | ALDH1A1 (0.38) | ALDH1A1KDM4EL3MBTL1MAPTMEN1 | |
| SCHEMBL4048036 | 0.71 | MAPT (0.43) | ALDH1A1KDM4EL3MBTL1MAPTMEN1 | |
| SCHEMBL4781699 | 0.71 | TACR1 (0.40) | ALDH1A1RHOCRHOASMN1; SMN2TACR1 | |
| SCHEMBL4783584 | 0.71 | TRPV1 (0.46) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL4782716 | 0.71 | TACR1 (0.40) | ALDH1A1RHOCRHOASMN1; SMN2TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |