Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23487565 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRCYP2D6SIGMAR1 | |
| SCHEMBL14543568 | 0.80 | MMP1 (0.43) | ALDH1A1HPGDTSHRS1PR2S1PR4 | |
| SCHEMBL18373838 | 0.80 | CA12 (0.52) | ALDH1A1HPGDTSHRSIGMAR1CA12 | |
| SCHEMBL1224664 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRSIGMAR1CA12 | |
| SCHEMBL15459518 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRCYP2D6SIGMAR1 | |
| SCHEMBL17548972 | 0.78 | PAOX (0.36) | ALDH1A1HPGDS1PR2S1PR4S1PR1 | |
| SCHEMBL18435281 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HPGDTSHRSIGMAR1CA12 | |
| SCHEMBL14518975 | 0.76 | CA12 (0.38) | ALDH1A1HPGDTSHRS1PR2S1PR4 | |
| SCHEMBL17548968 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HPGDTSHRCYP2D6SIGMAR1 | |
| SCHEMBL11812875 | 0.76 | CA12 (0.44) | ALDH1A1TSHRS1PR2S1PR4S1PR1 |
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-2021112626-A1 | NOVEL INDIRUBIN DERIVATIVE AND USE THEREOF | 주식회사 펠레메드 | 2021-06-10 | — | — | WO | disclosed |