Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23459249 | 0.68 | FKBP1A (0.38) | ALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL1594894 | 0.65 | RIPK1 (0.40) | — | |
| Oxalic Acid SCHEMBL10450342 | 0.62 | SLC6A2 (0.44) | ALDH1A1KDM4EMEN1KMT2ACHRM3 | |
| Oxalic Acid SCHEMBL10450345 | 0.62 | SLC6A2 (0.44) | ALDH1A1KDM4EMEN1KMT2ACHRM3 | |
| Oxalic Acid SCHEMBL10450343 | 0.62 | SLC6A2 (0.44) | ALDH1A1KDM4EMEN1KMT2ACHRM3 | |
| SCHEMBL28668283 | 0.61 | C3AR1 (0.36) | ALDH1A1MEN1KMT2A | |
| SCHEMBL15284518 | 0.61 | MEN1 (0.60) | ALDH1A1MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL2469958 | 0.61 | RAB9A (0.46) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL17848532 | 0.61 | RIPK1 (0.46) | ALDH1A1MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL15668142 | 0.61 | DPP4 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2654748-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087772-A1 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |