Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.51 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6465427 | 0.82 | NISCH (0.55) | SMPD3NISCHALDH1A1KDM4ECYP1A2 | |
| SCHEMBL770667 | 0.74 | SMPD3 (0.66) | SMPD3NISCHALDH1A1KDM4EMAP3K11 | |
| Hydrochloric Acid SCHEMBL11727808 | 0.74 | PDE4A (0.62) | SMPD3ALDH1A1KDM4EMAP3K11CYP3A4 | |
| SCHEMBL5328262 | 0.73 | NISCH (0.60) | SMPD3NISCHALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7734021 | 0.72 | MAOB (0.42) | ALDH1A1KDM4EMEN1KMT2AMMP9 | |
| SCHEMBL771769 | 0.72 | CYP1A2 (0.65) | SMPD3NISCHALDH1A1KDM4ECYP1A2 | |
| SCHEMBL9640880 | 0.72 | MMP9 (0.52) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8541773 | 0.72 | SMPD3 (0.58) | SMPD3NISCHALDH1A1KDM4EMAP3K11 | |
| Hydrochloric Acid SCHEMBL10465059 | 0.71 | SMPD3 (0.47) | SMPD3NISCHALDH1A1KDM4EMAP3K11 | |
| SCHEMBL722191 | 0.71 | NISCH (0.78) | SMPD3NISCHALDH1A1KDM4ECYP1A2 |
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-2007041593-A2 | ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |