Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL6639533 | 0.85 | MGAM (0.46) | ALDH1A1SMN1; SMN2RAB9AGAATP53 | |
| SCHEMBL28056415 | 0.79 | SCN9A (0.41) | ALDH1A1KDM4E | |
| SCHEMBL27925023 | 0.76 | GPBAR1 (0.37) | ALDH1A1PTGS2 | |
| SCHEMBL336434 | 0.74 | APP (0.47) | ALDH1A1SMN1; SMN2RAB9AGAATP53 | |
| SCHEMBL27958531 | 0.73 | NPC1 (0.39) | ALDH1A1RAB9ANPC1KDM4ETDP1 | |
| SCHEMBL27473801 | 0.73 | NPC1 (0.39) | ALDH1A1SMN1; SMN2RAB9ATP53NPC1 | |
| SCHEMBL30141977 | 0.72 | RAB9A (0.61) | ALDH1A1SMN1; SMN2RAB9AGAATP53 | |
| SCHEMBL4779549 | 0.72 | RAB9A (0.61) | ALDH1A1SMN1; SMN2RAB9AGAATP53 | |
| Hydrochloric Acid SCHEMBL4778775 | 0.71 | RAB9A (0.59) | ALDH1A1SMN1; SMN2RAB9AGAATP53 | |
| SCHEMBL1971146 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2RAB9AGAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699028-B | Substituted 4-phenylpyridines as non-systemic TGR5 agonists | 阿德利克斯公司 | 2021-10-22 | — | — | CN | disclosed |
| WO-2013062887-A1 | SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GPR131 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |