Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.52 |
| ▸ | FES | P07332 | 1/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768613 | 0.86 | GSK3B (0.50) | KDRFESFGFR1FLT4MAPT | |
| SCHEMBL30672992 | 0.85 | FPR2 (0.55) | KDRFESFGFR1FLT4MAPT | |
| SCHEMBL8767677 | 0.80 | KCNH2 (0.54) | KDRFESFGFR1FLT4MAPT | |
| SCHEMBL8872677 | 0.76 | MAPKAPK2 (0.48) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL8872684 | 0.76 | MAPKAPK2 (0.48) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL8371911 | 0.75 | ABCB1 (0.50) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL5450744 | 0.75 | GAA (0.68) | KDRMAPTPOLBMEN1KMT2A | |
| SCHEMBL20053881 | 0.75 | MAOB (0.65) | MAPTPOLBMAOAMAOBVNN1 | |
| SCHEMBL30673020 | 0.75 | CNR1 (0.46) | KDRFESFGFR1FLT4HDAC3 | |
| SCHEMBL11470006 | 0.74 | MAPT (0.54) | KDRMAPTPOLBMAOAMAOB |
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-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | claimed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | claimed |