Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4618611 | 0.83 | CTSA (0.40) | CTSASMN1; SMN2KMT2AKDM4ECYP1A2 | |
| SCHEMBL7797110 | 0.82 | SMN1; SMN2 (0.37) | SMN1; SMN2KMT2AKDM4ECYP1A2MAPT | |
| SCHEMBL7799009 | 0.82 | CTSA (0.43) | CTSASMN1; SMN2KMT2AKDM4ECYP1A2 | |
| SCHEMBL15173988 | 0.80 | CTSA (0.38) | CTSASMN1; SMN2KMT2AMEN1KDM4E | |
| Hydrochloric Acid SCHEMBL29858066 | 0.75 | DPP4 (0.41) | LMNAKMT2AS1PR3S1PR1CYP2D6 | |
| SCHEMBL14580271 | 0.75 | AKR1B1 (0.47) | SMN1; SMN2LMNAKMT2AAKR1B1MEN1 | |
| SCHEMBL15157460 | 0.75 | DPP4 (0.38) | KMT2AS1PR3CYP2D6CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL28301443 | 0.75 | DPP4 (0.41) | LMNAKMT2AS1PR3S1PR1CYP2D6 | |
| SCHEMBL16151353 | 0.74 | KMT2A (0.40) | SMN1; SMN2LMNAKMT2AS1PR1CYP2C19 | |
| SCHEMBL25253132 | 0.74 | CTSA (0.47) | CTSAKMT2AMEN1 |
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-1163222-A1 | PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056715-A1 | PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-09-28 | — | — | WO | disclosed |