Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.68 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.51 |
| ▸ | NSD2 | O96028 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861717 | 0.82 | ADORA2A (0.69) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL30030177 | 0.81 | ADORA2A (0.68) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL6902878 | 0.80 | RAB9A (0.68) | ADORA2AHSP90AA1TLR9KMT2AMAPT | |
| SCHEMBL1764840 | 0.80 | ADORA2A (0.66) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL8769865 | 0.79 | MAPT (0.49) | ADORA2AKMT2AMAPTMEN1TDP1 | |
| SCHEMBL11581290 | 0.79 | ADORA2A (0.56) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL11580805 | 0.78 | MAPT (0.51) | ADORA2AKMT2AMAPTMEN1TDP1 | |
| SCHEMBL11222158 | 0.77 | ADORA2A (0.62) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL11849568 | 0.76 | ADORA2A (0.61) | ADORA2AHKDC1NSD2HSP90AA1TLR9 | |
| SCHEMBL10927218 | 0.75 | ADORA2A (0.60) | ADORA2AHKDC1NSD2HSP90AA1TLR9 |
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-4255342-A | LIQUID PHASE REACTION OF AN ALKALI METAL PHENOXIDE AND A NITRO ANDOR HALO-SUBSTITUTED ANTHRAQUINONE; SOLVENT RECOVERY | TOMS RIVER CHEMICAL CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |