Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.54 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.50 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28920870 | 0.93 | GNAI3 (0.58) | SMYD3GNAI3GNAO1GNAI1CYP1A2 | |
| SCHEMBL31250902 | 0.91 | HRH2 (0.48) | SMYD3GNAI3GNAO1GNAI1CYP1A2 | |
| SCHEMBL8714085 | 0.90 | SMN1; SMN2 (0.50) | SMYD3GNAI3GNAO1GNAI1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8713116 | 0.89 | SMN1; SMN2 (0.49) | SMYD3GNAI3GNAO1GNAI1CYP1A2 | |
| SCHEMBL13713449 | 0.87 | GNAI3 (0.54) | SMYD3GNAI3GNAO1GNAI1KCNH2 | |
| SCHEMBL17285917 | 0.86 | KMT2A (0.49) | CYP1A2HTR4RAB9AL3MBTL1KCNH2 | |
| SCHEMBL27887743 | 0.86 | HTR4 (0.48) | SMYD3CYP1A2HTR4RAB9AL3MBTL1 | |
| SCHEMBL11861074 | 0.85 | CYP1A2 (0.53) | CYP1A2HTR4RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL11454925 | 0.84 | LMNA (0.54) | L3MBTL1KCNH2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL22878317 | 0.84 | HTR4 (0.47) | SMYD3CYP1A2HTR4RAB9AL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015177326-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-26 | — | — | WO | disclosed |
| CN-1143858-C | 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof | ������ҩ������˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1292789-A | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AWANDIS PHARMACEUTICAL CORP (US) | 2001-04-25 | — | — | CN | disclosed |