Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19249327 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL20125032 | 0.73 | ALDH1A1 (0.37) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL22970045 | 0.73 | CYP3A4 (0.39) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL8173210 | 0.72 | RAPGEF4 (0.39) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL24652823 | 0.72 | CYP3A4 (0.42) | ALDH1A1TSHRCYP3A4TDP1ALOX15 | |
| SCHEMBL18664288 | 0.70 | CYP3A4 (0.38) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL20727223 | 0.69 | POLB (0.32) | TSHRGAAMAPTCYP3A4MAPK1 | |
| SCHEMBL24652746 | 0.69 | CYP3A4 (0.39) | ALDH1A1TSHRCYP3A4TDP1ALOX15 | |
| SCHEMBL12976025 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL8342343 | 0.69 | TDP1 (0.52) | ALDH1A1TSHRKDM4EGAAMAPT |
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-2017133258-A1 | 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR | 西华大学 | 2017-08-10 | — | — | WO | disclosed |