Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.52 |
| ▸ | CHUK | O15111 | 1/20 | 0.52 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2087431 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL1499275 | 0.87 | HDAC1 (0.59) | ALDH1A1HDAC6HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL20547794 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL1499235 | 0.85 | BRAF (0.56) | ALDH1A1AURKAAURKBNAMPTIKBKB | |
| SCHEMBL30046741 | 0.85 | ALDH1A1 (0.73) | ALDH1A1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL8150809 | 0.84 | NPC1 (0.63) | ALDH1A1HDAC6HDAC1MCHR1TMEM97 | |
| SCHEMBL12766913 | 0.84 | ALDH1A1 (0.64) | ALDH1A1NAMPTSIGMAR1ALOX5POLB | |
| SCHEMBL1499442 | 0.83 | MTNR1B (0.54) | ALDH1A1MCHR1ALOX5CYP2D6 | |
| SCHEMBL29973388 | 0.83 | MTNR1B (0.54) | ALDH1A1MCHR1ALOX5CYP2D6 | |
| SCHEMBL5582704 | 0.83 | MCHR1 (0.70) | TDP1NAMPTMCHR1POLB |
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-0832091-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040705-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |