Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19834077 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| Potassium Ion SCHEMBL6700152 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL19834135 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL2037913 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL749971 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| Lithium Ion SCHEMBL3292255 | 0.95 | LMNA (0.42) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| Water SCHEMBL11627421 | 0.92 | LMNA (0.40) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| Tetramethylammonium Ion SCHEMBL19834093 | 0.88 | MEN1 (0.37) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11645920 | 0.88 | MEN1 (0.37) | LMNACYP2A6ALDH1A1CYP3A4MAPK1 | |
| Tetrylammonium SCHEMBL19834090 | 0.81 | KCNH2 (0.37) | LMNAALDH1A1CYP3A4KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4494989-A | PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS | THE HILTON-DAVIS CHEMICAL CO. (US) | 1985-01-22 | — | — | US | disclosed |
| US-4257954-A | INDOLYL-PHENYLSULFONYL-PHENYL METHANE | STERLING DRUG INC. (US) | 1981-03-24 | — | — | US | disclosed |