Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | EIF4A1 | P60842 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11155533 | 0.87 | CHEK2 (0.49) | ALDH1A1KDM4EMCL1MEN1KMT2A | |
| SCHEMBL8529939 | 0.83 | GSTP1 (0.47) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL7703136 | 0.82 | LTA4H (0.46) | ALDH1A1MEN1KMT2AMAPTCYP2C9 | |
| SCHEMBL8531848 | 0.81 | APP (0.50) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL9394835 | 0.78 | PSD (0.40) | ALDH1A1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL3277951 | 0.77 | APP (0.44) | ALDH1A1MAPTCYP3A4LMNAMAPK1 | |
| SCHEMBL457863 | 0.77 | HSPB1 (0.68) | ALDH1A1KDM4EMCL1MEN1KMT2A | |
| SCHEMBL11385468 | 0.76 | POLB (0.46) | ALDH1A1KMT2AMAPTCYP2C9CYP2C19 | |
| SCHEMBL14880632 | 0.76 | HSPB1 (0.42) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL27733187 | 0.76 | TLR4 (0.45) | ALDH1A1KDM4EMEN1KMT2AMAPT |
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-5749925-A | Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |