Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1042 | 1.00 | — | — | |
| SCHEMBL13198079 | 1.00 | — | — | |
| SCHEMBL28044604 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7323438 | 0.97 | — | — | |
| Water SCHEMBL5484486 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL9221280 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL3099736 | 0.94 | — | — | |
| Acetic Acid SCHEMBL28401154 | 0.86 | CHRM1 (0.46) | TSHRCHRM1AKR1A1CHRM3HTR2A | |
| Oxirane SCHEMBL28874614 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL28284358 | 0.86 | TSHR (0.32) | TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1692279-A4 | PRESERVATIVE-CONTAINING VIRUS FORMULATIONS | MERCK & CO INC (US) | 2006-12-27 | — | — | EP | disclosed |
| EP-1692279-A2 | PRESERVATIVE-CONTAINING VIRUS FORMULATIONS | Merck & Co., Inc. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005052116-A2 | PRESERVATIVE-CONTAINING VIRUS FORMULATIONS | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |