Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 8/20 | 0.51 |
| ▸ | KHK | P50053 | 4/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13575588 | 0.84 | KDM1A (0.54) | SMYD3ACSS2NPC1RAB9AKMT2A | |
| SCHEMBL13575614 | 0.84 | SMYD3 (0.53) | SMYD3KHKHTR4HDAC3HDAC4 | |
| SCHEMBL4052654 | 0.83 | ACSS2 (0.47) | SMYD3HDAC4HDAC6ACSS2NPC1 | |
| SCHEMBL13575620 | 0.83 | HPGD (0.51) | SMYD3KHKHTR4HPGDSRAB9A | |
| SCHEMBL13575520 | 0.82 | HTR4 (0.52) | SMYD3HTR4NPC1HPGDSRAB9A | |
| SCHEMBL10144490 | 0.82 | HTR4 (0.61) | SMYD3KHKHTR4HPGDSKMT2A | |
| SCHEMBL12200364 | 0.81 | HTR4 (0.57) | SMYD3KHKHTR4HDAC3HDAC4 | |
| SCHEMBL13575477 | 0.81 | HDAC6 (0.55) | SMYD3KHKHTR4HDAC3HDAC4 | |
| SCHEMBL13880649 | 0.79 | MAPK1 (0.58) | SMYD3KHKHTR4HPGDSKMT2A | |
| SCHEMBL13575536 | 0.78 | TAS1R3 (0.54) | SMYD3KHKHTR4HDAC3HDAC4 |
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-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |