Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717619 | 0.80 | LMNA (0.40) | CYP2C19SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL28622173 | 0.74 | ALDH1A1 (0.46) | CYP2C19SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL39931 | 0.74 | MAPT (0.48) | MEN1GAAKMT2AALDH1A1CYP3A4 | |
| SCHEMBL40517 | 0.73 | HRH1 (0.42) | TSHRSLC6A3CTSK | |
| SCHEMBL29035379 | 0.73 | SMN1; SMN2 (0.42) | CYP2C19SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL41938 | 0.72 | CYP2C19 (0.44) | CYP2C19ALDH1A1CYP1A2RAB9ATSHR | |
| Hydrochloric Acid SCHEMBL42821 | 0.72 | CXCR4 (0.41) | ALDH1A1TSHRLMNASLC6A3 | |
| SCHEMBL29187951 | 0.70 | CYP3A4 (0.41) | CYP2C19SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL12852568 | 0.69 | KCNA5 (0.51) | CYP2C19SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL8945850 | 0.68 | ALDH1A1 (0.43) | CYP2C19ALDH1A1CYP1A2RAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2419408-A1 | 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE | MSD K.K. (JP) | 2012-02-22 | — | — | EP | disclosed |