Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8985904 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 | |
| SCHEMBL9639603 | 0.82 | ALDH1A1 (0.44) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 | |
| SCHEMBL14229389 | 0.80 | AGTR1 (0.47) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 | |
| SCHEMBL14230028 | 0.78 | AGTR1 (0.51) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 | |
| SCHEMBL28460738 | 0.78 | MAPT (0.43) | ALDH1A1MAPTMAPK1L3MBTL1POLB | |
| SCHEMBL27727791 | 0.77 | HCAR3 (0.48) | ALDH1A1MAPTMAPK1L3MBTL1KDM4E | |
| SCHEMBL9639420 | 0.76 | POLB (0.46) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 | |
| SCHEMBL9689081 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPTAGTR1AGTR2PDE10A | |
| SCHEMBL14444935 | 0.75 | TXNRD1 (0.50) | MAPTMAPK1RAB9APAX8HTT | |
| SCHEMBL14200874 | 0.75 | AGTR1 (0.48) | ALDH1A1MAPTMAPK1L3MBTL1AGTR1 |
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-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |