Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3243091 | 0.79 | CYP1A2 (0.64) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL1256254 | 0.78 | KDR (0.57) | KDRFYNNPC1RAB9AATR | |
| Hydrochloric Acid SCHEMBL1257055 | 0.77 | KDR (0.56) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL3249454 | 0.75 | KDR (0.57) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL2961915 | 0.75 | BACE1 (0.51) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL3383793 | 0.75 | ATR (0.51) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL29036797 | 0.75 | FYN (0.60) | KDRFYNNPC1RAB9AATR | |
| SCHEMBL1256123 | 0.75 | TSHR (0.60) | KDRFYNNPC1RAB9ACYP1A2 | |
| SCHEMBL7936724 | 0.75 | CYP3A4 (0.52) | KDRFYNNPC1RAB9ACYP1A2 | |
| SCHEMBL31240694 | 0.75 | CDK9 (0.49) | KDRFYNCYP1A2CYP3A4CYP2D6 |
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-8389554-B2 | Imidazothiadiazole derivatives | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2013-03-05 | — | — | US | claimed |