Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8314042 | 0.85 | PDK1 (0.42) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5839921 | 0.85 | PDK1 (0.42) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL620243 | 0.85 | PDK1 (0.58) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL14655013 | 0.84 | EPHX1 (0.46) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL15906238 | 0.84 | EPHX1 (0.46) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL803835 | 0.82 | EPHX1 (0.44) | EPHX1PDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL5748409 | 0.82 | SMYD3 (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL14654940 | 0.82 | EPHX1 (0.44) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL15906218 | 0.81 | EPHX1 (0.43) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL14652109 | 0.81 | PKM (0.40) | EPHX1PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8791257-B2 | Substituted pyrrolotriazines as protein kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-29 | — | — | US | disclosed |