Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | ELANE | P08246 | 4/20 | 0.34 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 2/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | C1R | P00736 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493205 | 0.87 | NT5E (0.43) | NT5E | |
| SCHEMBL9492846 | 0.77 | ELANE (0.45) | CYP3A4TSHRPARP1ELANEPBRM1 | |
| SCHEMBL9493850 | 0.76 | LMNA (0.38) | CYP3A4TSHRPARP1MEN1KMT2A | |
| SCHEMBL10506653 | 0.75 | CYP3A4 (0.39) | CYP3A4TSHRPARP1ELANEMEN1 | |
| SCHEMBL9495292 | 0.70 | MAOA (0.47) | CYP3A4MEN1KMT2ANT5EC1R | |
| SCHEMBL11104609 | 0.68 | CYP3A4 (0.36) | CYP3A4TSHRNT5E | |
| SCHEMBL9493868 | 0.68 | NT5E (0.46) | CYP3A4TSHRNT5EPDE3BPDE3A | |
| SCHEMBL11100320 | 0.65 | TSHR (0.41) | CYP3A4TSHRPARP1MEN1KMT2A | |
| SCHEMBL11831553 | 0.65 | NT5E (0.43) | PARP1ELANENT5EACHE | |
| SCHEMBL11828023 | 0.65 | NT5E (0.43) | PARP1ELANENT5E |
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-0113432-B1 | CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | ALKALOIDA VEGYéSZETI GYáR (HU) | 1993-03-17 | — | — | EP | claimed |
| US-5221288-A | Treating cellulose fiber textile product with cationic compound, immersing in dispersion of microencapsulated thermochromic or photochromic material | MATSUI SHIKISO CHEMICAL CO., LTD. (JP) | 1993-06-22 | — | — | US | disclosed |