Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10749942 | 0.98 | CYP1A2 (0.52) | CYP1A2NPC1RAB9ABCHEEPHX1 | |
| Bicarbonate SCHEMBL11127722 | 0.92 | EPHX1 (0.53) | CYP1A2NPC1RAB9AEPHX1EPHX2 | |
| SCHEMBL19307552 | 0.91 | ESR1 (0.52) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11062223 | 0.87 | SPHK1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9272911 | 0.87 | SPHK1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11058925 | 0.87 | SPHK1 (0.49) | CYP1A2SPHK1HRH3ESR1ADRA2A | |
| SCHEMBL11062226 | 0.87 | SPHK1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11058931 | 0.87 | SPHK1 (0.49) | CYP1A2SPHK1HRH3ESR1ADRA2A | |
| SCHEMBL9272914 | 0.87 | SPHK1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11069222 | 0.87 | SPHK1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 |
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-5876626-A | HIGH SPEED SWITCHING | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-03-02 | — | — | US | disclosed |