Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | TPMT | P51580 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7284623 | 0.93 | TSHR (0.51) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL15542418 | 0.89 | KMT2A (0.67) | TSHRKMT2AMEN1HTTMAPK1 | |
| SCHEMBL24933575 | 0.88 | KMT2A (0.52) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL24933561 | 0.88 | MAPT (0.55) | TSHRKMT2AMEN1MAPK1LMNA | |
| SCHEMBL30163055 | 0.88 | MAPT (0.55) | TSHRKMT2AMEN1MAPK1LMNA | |
| SCHEMBL8836080 | 0.85 | KMT2A (0.53) | TSHRKMT2AMEN1MAPK1LMNA | |
| SCHEMBL1928755 | 0.83 | POLB (0.44) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL14220714 | 0.83 | NPC1 (0.52) | KMT2AMEN1HTTMAPK1LMNA | |
| SCHEMBL24933557 | 0.82 | KMT2A (0.47) | TSHRPLA2G4BKMT2AMEN1MAPK1 | |
| SCHEMBL9774170 | 0.82 | KMT2A (0.75) | TSHRCA12CA1CA2CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4377306-A1 | ROCK2 INHIBITORS AND USES THEREOF | President and Fellows of Harvard College (US) | 2024-06-05 | — | — | EP | disclosed |
| CN-118055926-A | ROCK2 inhibitors and uses thereof | 哈佛大学的校长及成员们 | 2024-05-17 | — | — | CN | disclosed |
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |