Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12444629 | 0.88 | LMNA (0.38) | ALDH1A1CA12CA9TSHRKMT2A | |
| SCHEMBL23487563 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL1224664 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL15459518 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL18435281 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL15827535 | 0.79 | CA12 (0.35) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL14275104 | 0.78 | MEN1 (0.48) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL10489425 | 0.78 | CA12 (0.48) | ALDH1A1HPGDCA12CA2CA9 | |
| SCHEMBL17548972 | 0.77 | PAOX (0.36) | ALDH1A1HPGDREN | |
| SCHEMBL9289035 | 0.77 | MEN1 (0.47) | ALDH1A1HPGDCA12CA2CA9 |
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 |