Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 3/20 | 0.46 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5565180 | 0.88 | TNF (0.43) | TNFSMN1; SMN2LMNAMCL1ALDH1A1 | |
| SCHEMBL9252072 | 0.85 | TNF (0.43) | TRPA1TNFSMN1; SMN2LMNAMCL1 | |
| SCHEMBL9253194 | 0.85 | LMNA (0.43) | TRPA1TNFSMN1; SMN2LMNAMCL1 | |
| SCHEMBL6589975 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AMAPTLMNA | |
| SCHEMBL13646422 | 0.82 | TNF (0.56) | TNFSMN1; SMN2MAPTLMNAMCL1 | |
| SCHEMBL12388859 | 0.81 | TNF (0.42) | TNFSMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL5500566 | 0.81 | ESR1 (0.47) | TNFSMN1; SMN2MAPTLMNAALDH1A1 | |
| SCHEMBL9245910 | 0.78 | POLB (0.45) | SMN1; SMN2NPC1MAPTLMNAALDH1A1 | |
| SCHEMBL666304 | 0.78 | HDAC6 (0.54) | TNFMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL9366964 | 0.77 | MMP13 (0.52) | SMN1; SMN2THRBPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5236927-A | Reduced toxicity; side effect reduction | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1993-08-17 | — | — | US | disclosed |
| EP-0204529-B1 | ANTI-CANCER QUINAZOLINE DERIVATIVES | BTG INTERNATIONAL LIMITED (GB) | 1993-03-31 | — | — | EP | disclosed |
| EP-0204529-A2 | Anti-cancer quinazoline derivatives | BTG INTERNATIONAL LIMITED (GB) | 1986-12-10 | — | — | EP | disclosed |