Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529589 | 0.88 | MAOB (0.44) | ALDH1A1MAOBKCNH2TP53SMN1; SMN2 | |
| SCHEMBL3845894 | 0.76 | DPP4 (0.41) | ALDH1A1KDM4EGAAMAPTCYP2D6 | |
| SCHEMBL21239552 | 0.74 | KCNH2 (0.47) | ALDH1A1KCNH2KDM4EGAAMAPT | |
| SCHEMBL7965172 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAOBKCNH2SMN1; SMN2CYP1A2 | |
| SCHEMBL3357120 | 0.73 | CA1 (0.40) | ALDH1A1KCNH2KDM4ETP53MEN1 | |
| SCHEMBL3356359 | 0.73 | CA1 (0.40) | ALDH1A1KCNH2KDM4ETP53MEN1 | |
| SCHEMBL609878 | 0.73 | CA1 (0.40) | ALDH1A1KCNH2KDM4ETP53MEN1 | |
| SCHEMBL23644511 | 0.73 | MAOB (0.50) | ALDH1A1MAOBKDM4EGAAMAPT | |
| SCHEMBL8962594 | 0.73 | MAOB (0.50) | ALDH1A1MAOBKDM4EGAAMAPT | |
| SCHEMBL1323651 | 0.72 | CA2 (0.50) | ALDH1A1KDM4EGAAMAPTKMT2A |
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-6323346-B1 | REACTING A DIAZOACETIC ACID DERIVATIVE OF THE FORMULA N.SUB.2 CHR.SUP.4 WITH A CARBONYL COMPOUND OF FORMULA R.SUP.1 R.SUP.2 C.DBD.O AND AN AMINO-GROUP-CONTAINING COMPOUND OF FORMULA R.SUP.3 NH.SUB.2 IN THE PRESENCE OF AN IRIDIUM COMPLEX | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-11-27 | — | — | US | disclosed |