Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 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 | |
|---|---|---|---|---|
| 3-Chloropropanol SCHEMBL19178 | 1.00 | — | — | |
| 3-Chloropropanol SCHEMBL28474832 | 0.96 | — | — | |
| 3-Chloropropanol SCHEMBL30626520 | 0.96 | — | — | |
| 3-Chloropropanol SCHEMBL1653575 | 0.96 | — | — | |
| 3-Chloropropanol SCHEMBL28742500 | 0.96 | — | — | |
| 3-Chloropropanol SCHEMBL28829619 | 0.96 | — | — | |
| 3-Chloropropanol SCHEMBL31197932 | 0.96 | — | — | |
| Benzene SCHEMBL6493686 | 0.89 | ALDH1A1 (0.40) | TSHRALDH1A1TDP1SMN1; SMN2CAMK2A | |
| 3-Chloropropanol SCHEMBL10359618 | 0.89 | — | — | |
| SCHEMBL1041 | 0.87 | — | — |
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-3107522-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M Innovative Properties Company (US) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015126666-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |