Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5904052 | 0.86 | SMN1; SMN2 (0.56) | LMNAMCOLN3CA12CA2CA9 | |
| SCHEMBL9196333 | 0.83 | SLC6A4 (0.44) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL3904434 | 0.83 | QPCT (0.49) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL18415207 | 0.83 | SMN1; SMN2 (0.46) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL1168220 | 0.81 | IDO1 (0.52) | LMNACA12CA2CA9SMN1; SMN2 | |
| SCHEMBL2438933 | 0.79 | LMNA (0.51) | LMNAMCOLN3CA12CA2CA9 | |
| SCHEMBL7174382 | 0.79 | SMN1; SMN2 (0.42) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL6995106 | 0.79 | ALDH1A1 (0.47) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL7770001 | 0.79 | STAT3 (0.48) | LMNASMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL15349387 | 0.78 | SMN1; SMN2 (0.49) | SMN1; SMN2MAPTNPC1RAB9AALDH1A1 |
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-5367091-A | Optical resolution of DL-3-acetylthio-2-methylpropionic acid using L-(+)-2-aminobutanol as resolving agent | MEDICHEM, S.A. (ES) | 1994-11-22 | — | — | US | disclosed |