Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | GUSB | P08236 | 1/20 | 0.56 |
| ▸ | ELANE | P08246 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.53 |
| ▸ | CFTR | P13569 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878028 | 0.87 | KMT2A (0.72) | KMT2AOPRK1ALDH1A1MAPTTHRB | |
| SCHEMBL11706982 | 0.83 | KMT2A (1.00) | KMT2AOPRK1ALDH1A1MAPTMEN1 | |
| SCHEMBL12580134 | 0.83 | KMT2A (0.59) | KMT2AOPRK1ALDH1A1MAPTTHRB | |
| SCHEMBL1941459 | 0.80 | KMT2A (0.59) | KMT2AOPRK1ALDH1A1MAPTMEN1 | |
| SCHEMBL27635805 | 0.80 | NPC1 (0.62) | KMT2AOPRK1ALDH1A1MAPTTHRB | |
| SCHEMBL15538738 | 0.79 | KDM4E (0.61) | KMT2AOPRK1ALDH1A1MAPTTHRB | |
| SCHEMBL28060242 | 0.79 | NPC1 (0.66) | KMT2AALDH1A1MAPTTHRBTDP1 | |
| SCHEMBL874141 | 0.78 | POLB (0.67) | KMT2AALDH1A1MAPTTHRBTDP1 | |
| SCHEMBL19293871 | 0.78 | KDM4E (0.59) | KMT2AOPRK1ALDH1A1MAPTTHRB | |
| SCHEMBL16475867 | 0.78 | KDM4E (0.64) | KMT2AOPRK1ALDH1A1MAPTTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180278-B | 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators | MERCK PATENT GMBH | 2011-05-04 | — | — | CN | disclosed |
| CN-101180278-A | 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators | MERCK PATENT GMBH (DE) | 2008-05-14 | — | — | CN | disclosed |