Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL11950503 | 1.00 | CYP2D6 (0.49) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL24961174 | 0.90 | CYP2D6 (0.44) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL24494610 | 0.90 | LMNA (0.42) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL27907727 | 0.86 | ABCB1 (0.56) | CYP2D6LMNAMAPTHTTSMN1; SMN2 | |
| SCHEMBL24933345 | 0.84 | CYP2D6 (0.50) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL24933047 | 0.84 | CYP2D6 (0.50) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL11400908 | 0.84 | LMNA (0.61) | CYP2D6LMNAADRB2ADRB1L3MBTL1 | |
| SCHEMBL14655656 | 0.82 | CA1 (0.47) | CYP2D6LMNACA1CA2CA7 | |
| SCHEMBL267463 | 0.82 | LMNA (0.68) | CYP2D6LMNAADRB2ADRB1L3MBTL1 | |
| SCHEMBL1811045 | 0.81 | LMNA (0.53) | CYP2D6LMNAADRB2ADRB1L3MBTL1 |
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-1104395-A1 | STEREOSELECTIVE RING OPENING REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009463-A1 | STEREOSELECTIVE RING OPENING REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-24 | — | — | WO | disclosed |