Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL14160345 | 0.81 | HTT (0.40) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL4782961 | 0.77 | DRD2 (0.43) | MEN1KMT2AHTTCYP3A4SMN1; SMN2 | |
| SCHEMBL31646349 | 0.73 | F2 (0.43) | ELANEALDH1A1KDM4EGAAMEN1 | |
| SCHEMBL4784655 | 0.73 | LMNA (0.45) | ELANECHRM1ALDH1A1KDM4ELMNA | |
| SCHEMBL30861065 | 0.69 | TEAD2 (0.45) | ALDH1A1KDM4ELMNAGAATSHR | |
| SCHEMBL29387256 | 0.65 | CYP3A4 (0.55) | ALDH1A1GAAKMT2AENPP3ALPL | |
| SCHEMBL333141 | 0.65 | CYP3A4 (0.55) | ALDH1A1GAAKMT2AENPP3ALPL | |
| SCHEMBL19398166 | 0.65 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNAGAACYP1A2 | |
| SCHEMBL10669335 | 0.63 | CYP3A4 (0.59) | ALDH1A1GAAKMT2AENPP3ALPL | |
| SCHEMBL10936467 | 0.63 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAGAAMEN1 |
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 |