Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 1/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL259177 | 0.82 | TDP1 (0.78) | TDP1BRAFKCNK3CYP1A2CYP2C9 | |
| SCHEMBL12707417 | 0.81 | MEN1 (0.57) | TDP1KCNK3CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19608697 | 0.76 | GAA (0.51) | TDP1CYP1A2CYP3A4CYP2C19GAA | |
| SCHEMBL9192069 | 0.76 | KMT2A (0.72) | BRAFCYP1A2HTTGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9187992 | 0.75 | KMT2A (0.70) | BRAFCYP1A2HTTGAAALDH1A1 | |
| SCHEMBL9435155 | 0.74 | TDP1 (0.62) | TDP1BRAFKCNK3CYP1A2CYP3A4 | |
| SCHEMBL2790141 | 0.74 | KMT2A (0.67) | TDP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5214513 | 0.74 | TDP1 (0.57) | TDP1BRAFKCNK3CYP1A2CYP3A4 | |
| SCHEMBL25872256 | 0.74 | ALDH1A1 (0.55) | KCNK3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31661935 | 0.73 | BRAF (0.79) | TDP1BRAFKCNK3CSF1RALDH1A1 |
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 |