Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.49 |
| ▸ | TDO2 | P48775 | 8/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SETD2 | Q9BYW2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8318563 | 0.87 | GLA (0.49) | HRH4GAAGLAXDHCYP1A2 | |
| SCHEMBL3276933 | 0.85 | ALOX15 (0.47) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL20597117 | 0.85 | IDO1 (0.49) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL30310464 | 0.84 | IDO1 (0.48) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL18990285 | 0.84 | IDO1 (0.48) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL22620603 | 0.84 | XDH (0.50) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL10093729 | 0.83 | GLA (0.46) | GAAGLAXDHCYP1A2MEN1 | |
| SCHEMBL20505032 | 0.83 | IDO1 (0.65) | IDO1TDO2HRH4HPGD | |
| SCHEMBL22620604 | 0.82 | IDO1 (0.47) | IDO1TDO2HRH4GAAGLA | |
| SCHEMBL22620768 | 0.82 | IDO1 (0.47) | IDO1TDO2HRH4GAAGLA |
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-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |