Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13363108 | 0.84 | CYP3A4 (0.39) | ALDH1A1TDP1TSHRCYP3A4CASP1 | |
| SCHEMBL24879335 | 0.84 | CA12 (0.31) | CA12CA1CA2CA4CA6 | |
| SCHEMBL19914812 | 0.80 | HTR2A (0.33) | ALDH1A1 | |
| SCHEMBL19489529 | 0.78 | TSHR (0.34) | ALDH1A1TDP1THRBRECQLTSHR | |
| SCHEMBL25457921 | 0.77 | JAK2 (0.34) | ALDH1A1TDP1THRBRECQLMEN1 | |
| SCHEMBL21348507 | 0.75 | — | — | |
| SCHEMBL24305375 | 0.75 | TSHR (0.32) | ALDH1A1THRBRECQLTSHRCYP3A4 | |
| SCHEMBL19489638 | 0.75 | TSHR (0.32) | ALDH1A1THRBRECQLTSHRCYP3A4 | |
| SCHEMBL19871757 | 0.73 | TSHR (0.48) | ALDH1A1TDP1MEN1MAPTRAB9A | |
| SCHEMBL526351 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1THRBRECQLMEN1 |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |