Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17511046 | 0.95 | RAB9A (0.52) | ALDH1A1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19440809 | 0.93 | NPC1 (0.56) | ALDH1A1RAB9ANPC1NAAAMEN1 | |
| SCHEMBL19440820 | 0.87 | EPHX2 (0.57) | ALDH1A1RAB9ACYP2C9CYP2C19NPC1 | |
| SCHEMBL19442506 | 0.86 | NPC1 (0.42) | ALDH1A1RAB9ANPC1KDM4EMEN1 | |
| SCHEMBL17511304 | 0.86 | HDAC3 (0.47) | RAB9ANPC1MAPT | |
| SCHEMBL19440855 | 0.85 | KMT2A (0.46) | RAB9ANPC1KDM4EMEN1KMT2A | |
| SCHEMBL19440886 | 0.84 | NAMPT (0.47) | ALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL19442480 | 0.84 | NME4 (0.47) | RAB9ANPC1KDM4EL3MBTL1MEN1 | |
| SCHEMBL19440878 | 0.83 | SMN1; SMN2 (0.47) | RAB9ANPC1MEN1KMT2A | |
| SCHEMBL19440880 | 0.83 | KMT2A (0.43) | ALDH1A1RAB9ANPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9783510-B2 | Small molecule mediated transcriptional induction of E-cadherin | VANDERBILT UNIVERSITY (US) | 2017-10-10 | — | — | US | disclosed |
| US-9783510-B2 | Small molecule mediated transcriptional induction of E-cadherin | VANDERBILT UNIVERSITY (US) | 2017-10-10 | — | — | US | disclosed |