Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1397470 | 0.86 | KMT2A (0.58) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL11046987 | 0.83 | KMT2A (0.49) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL8823334 | 0.82 | KMT2A (0.55) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL20944778 | 0.82 | KMT2A (0.55) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL649287 | 0.82 | KMT2A (0.55) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL3274886 | 0.82 | KMT2A (0.55) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL28458281 | 0.80 | KMT2A (0.53) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL27493547 | 0.79 | CES2 (0.61) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL11408880 | 0.78 | KMT2A (0.51) | KMT2ALMNAPGRADRA2AADRA2B | |
| SCHEMBL6578238 | 0.78 | KMT2A (0.51) | KMT2ALMNAPGRADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0492350-B1 | Process for the production of (S)-vinyl and (S) allenyl gaba | MERRELL PHARMA INC (US) | 1997-10-15 | — | — | EP | disclosed |
| US-5208345-A | Substituted Pyrrolidinone Derivatives as Intermediates Optical Isomers | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0492350-A1 | Process for the production of (S)-vinyl and (S) allenyl gaba | MERRELL PHARMACEUTICALS INC. (US) | 1992-07-01 | — | — | EP | disclosed |