Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL39936 | 0.97 | — | — | |
| SCHEMBL12444126 | 0.97 | — | — | |
| Water SCHEMBL28049243 | 0.97 | KDM4E (0.64) | KDM4ETP53MAOAMAOBPTGS1 | |
| SCHEMBL28783861 | 0.94 | KDM4E (0.61) | KDM4ETP53MAOAMAOBPTGS1 | |
| SCHEMBL28251780 | 0.94 | KDM4E (0.61) | KDM4ETP53MAOAMAOBPTGS1 | |
| Hydrochloric Acid SCHEMBL30942103 | 0.94 | KDM4E (0.61) | KDM4ETP53MAOAMAOBPTGS1 | |
| SCHEMBL7929151 | 0.89 | MMP3 (0.58) | KDM4ETP53MAOAMAOBPTGS1 | |
| SCHEMBL15934230 | 0.89 | KDM4E (0.57) | KDM4ETP53MAOAMAOBPTGS1 | |
| SCHEMBL28311757 | 0.87 | KDM4E (0.55) | KDM4ETP53MAOAMAOBPTGS1 | |
| Ammonia Solution, Strong SCHEMBL3940933 | 0.85 | KDM4E (0.53) | KDM4ETP53MAOAMAOBPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5773463-A | DECALCIFICATION OF BRAIN DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-06-30 | — | — | US | disclosed |
| EP-0711272-A1 | INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004028-A1 | INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-02-09 | — | — | WO | disclosed |