Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 6/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30871249 | 0.83 | HDAC1 (0.52) | BRAFHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL28366217 | 0.82 | MAPT (0.56) | MAPTPOLBGAAMAPK1PBRM1 | |
| SCHEMBL27549798 | 0.82 | POLB (0.59) | MAPTPOLBGAAMAPK1PBRM1 | |
| SCHEMBL6981967 | 0.81 | GAA (0.57) | HDAC1HDAC8HDAC6GAANPC1 | |
| SCHEMBL9196519 | 0.80 | IKBKB (0.59) | MAPTPOLBGAAMAPK1PBRM1 | |
| SCHEMBL7608088 | 0.80 | MAPT (0.62) | MAPTHDAC2POLBGAAMAPK1 | |
| SCHEMBL9760868 | 0.80 | MAPK1 (0.59) | MAPTPOLBGAAMAPK1TDP1 | |
| SCHEMBL11357069 | 0.77 | RAB9A (0.62) | HDAC1HDAC3HDAC7HDAC2HDAC8 | |
| SCHEMBL11504870 | 0.76 | AKR1C3 (0.63) | MAPTPOLBGAAATMTDP1 | |
| SCHEMBL30874183 | 0.76 | PBRM1 (0.62) | MAPTPOLBGAAMAPK1PBRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1036002-C | A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1997-10-01 | — | — | CN | disclosed |
| CN-1033752-C | (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives | JANSSEN PHARMACEUTICA NV (SE) | 1997-01-08 | — | — | CN | disclosed |
| CN-1106005-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | disclosed |
| CN-1106004-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | disclosed |
| US-5037829-A | Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-06 | — | — | US | disclosed |
| CN-1042912-A | (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-06-13 | — | — | CN | disclosed |