Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17297899 | 0.75 | HTR2A (0.33) | CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL20783853 | 0.72 | — | — | |
| SCHEMBL31576135 | 0.72 | — | — | |
| SCHEMBL13494563 | 0.72 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP2C19LMNA | |
| SCHEMBL31576132 | 0.72 | — | — | |
| SCHEMBL19948025 | 0.72 | HTR2A (0.44) | GAACYP1A2CYP2C19KMT2AHTR2A | |
| SCHEMBL22169318 | 0.71 | — | — | |
| SCHEMBL1101904 | 0.71 | KDM4E (0.55) | KDM4EMAPTSMN1; SMN2GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL31516219 | 0.71 | — | — | |
| SCHEMBL31581288 | 0.71 | KDM4E (0.37) | KDM4ESMN1; SMN2ALDH1A1HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3647311-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2020-05-06 | — | — | EP | disclosed |