Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23758516 | 0.82 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1SMN1; SMN2HPGDMAPT | |
| SCHEMBL8399921 | 0.80 | ALDH1A1 (0.41) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL11060465 | 0.80 | HPGD (0.41) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL6743598 | 0.80 | ALDH1A1 (0.49) | ALDH1A1POLBHPGDRAB9ACES2 | |
| SCHEMBL7674820 | 0.78 | SRD5A2 (0.44) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL11057963 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL15197094 | 0.75 | MEN1 (0.46) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL6742958 | 0.74 | CYP1A2 (0.62) | ALDH1A1L3MBTL1SMN1; SMN2POLBMAPT | |
| SCHEMBL6622235 | 0.72 | NOTUM (0.39) | ALDH1A1L3MBTL1POLBHPGDMAPT | |
| SCHEMBL3175489 | 0.71 | ALDH1A1 (0.43) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 |
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 1 patent. 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 |