Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 4/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15906243 | 1.00 | EPHX1 (0.42) | EPHX1SMYD3MAPK1SMN1; SMN2EPHX2 | |
| SCHEMBL15906235 | 1.00 | EPHX1 (0.42) | EPHX1SMYD3MAPK1SMN1; SMN2EPHX2 | |
| SCHEMBL6322503 | 0.92 | EPHX2 (0.42) | EPHX1SMYD3EPHX2L3MBTL1GBA1 | |
| SCHEMBL10215040 | 0.92 | EPHX2 (0.42) | EPHX1SMYD3EPHX2L3MBTL1GBA1 | |
| SCHEMBL6696877 | 0.92 | EPHX2 (0.42) | EPHX1SMYD3EPHX2L3MBTL1GBA1 | |
| SCHEMBL3332424 | 0.85 | SMYD3 (0.40) | EPHX1SMYD3MAPK1SMN1; SMN2EPHX2 | |
| SCHEMBL23575960 | 0.84 | SMYD3 (0.44) | SMYD3EPHX2GBA1DPP4DPP8 | |
| SCHEMBL19701381 | 0.84 | SMYD3 (0.44) | SMYD3EPHX2GBA1DPP4DPP8 | |
| SCHEMBL6508317 | 0.83 | EPHX1 (0.44) | EPHX1SMYD3MAPK1SMN1; SMN2EPHX2 | |
| SCHEMBL25111557 | 0.83 | CTSC (0.40) | EPHX1SMYD3MAPK1SMN1; SMN2EPHX2 |
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 |