Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.52 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9986282 | 0.78 | ALDH1A1 (0.54) | ALDH1A1IMPDH2PTGER4KDM4EMEN1 | |
| SCHEMBL6755460 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL14208662 | 0.74 | KDM4E (0.54) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL6753120 | 0.74 | ALDH1A1 (0.46) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL15964274 | 0.74 | KDM4E (0.50) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL16978834 | 0.73 | ALDH1A1 (0.64) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL25806689 | 0.71 | ALDH1A1 (0.56) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL26329739 | 0.71 | CYP1A2 (0.53) | ALDH1A1PTGER4KDM4EMEN1MAPT | |
| SCHEMBL29365374 | 0.70 | ALDH1A1 (1.00) | ALDH1A1IMPDH2KDM4EMEN1MAPT | |
| SCHEMBL378958 | 0.70 | ALDH1A1 (1.00) | ALDH1A1IMPDH2KDM4EMEN1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |