Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | ITGAV | P06756 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8187421 | 0.86 | ACHE (0.42) | — | |
| SCHEMBL5155939 | 0.85 | ITGB3 (0.41) | ITGB3ITGA2BITGAVLMNAHPGD | |
| SCHEMBL7919362 | 0.85 | ITGB3 (0.35) | ITGB3ITGA2BITGAVGABRA1GABRG2 | |
| SCHEMBL7910284 | 0.82 | ITGB3 (0.39) | MEN1KMT2AHDAC1HDAC6ITGB3 | |
| SCHEMBL8525562 | 0.82 | ITGB3 (0.39) | MEN1KMT2AHDAC1HDAC6ITGB3 | |
| SCHEMBL8155059 | 0.77 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL8525855 | 0.74 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL8525235 | 0.74 | ITGB3 (0.68) | ITGB3ITGA2BITGAVL3MBTL1 | |
| SCHEMBL7544674 | 0.72 | ITGB3 (0.39) | ITGB3ITGA2BITGAVHPGD | |
| SCHEMBL7485250 | 0.71 | ITGB3 (0.38) | ITGB3ITGA2BLMNAHPGDHTT |
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-6225465-B1 | REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS | SMITHKLINE BEECHAM PLC (GB) | 2001-05-01 | — | — | US | disclosed |