Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MARS1 | P56192 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4380087 | 0.76 | KDM4E (0.51) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 | |
| SCHEMBL24101159 | 0.72 | ITGB2 (0.44) | ALDH1A1CYP1A2CYP2C9HSD17B10SMN1; SMN2 | |
| SCHEMBL2213807 | 0.68 | ALDH1A1 (0.85) | ALDH1A1CYP1A2CYP2C9HSD17B10SMN1; SMN2 | |
| SCHEMBL4372570 | 0.68 | ALPL (0.46) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 | |
| SCHEMBL28032137 | 0.68 | TSHR (0.46) | ALDH1A1CYP1A2CYP2C9ALPLSRD5A2 | |
| SCHEMBL953237 | 0.68 | ALPL (0.52) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 | |
| SCHEMBL14953117 | 0.68 | ALPL (0.52) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 | |
| SCHEMBL6503762 | 0.68 | SHMT1 (0.56) | ALDH1A1ALPLSRD5A2SMN1; SMN2KDM4E | |
| SCHEMBL8779218 | 0.67 | SRD5A2 (0.68) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 | |
| SCHEMBL18662452 | 0.67 | SMURF2 (0.51) | ALDH1A1ALPLSRD5A2SMN1; SMN2TP53 |
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-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |