Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8433339 | 0.82 | MEN1 (0.55) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL3560316 | 0.82 | MEN1 (0.55) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| Hydrochloric Acid SCHEMBL5672181 | 0.82 | CTSS (0.52) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| Hydrochloric Acid SCHEMBL5672178 | 0.82 | CTSS (0.52) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| Hydrochloric Acid SCHEMBL3559927 | 0.81 | MEN1 (0.53) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL7410131 | 0.81 | MEN1 (0.50) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL6500077 | 0.81 | MEN1 (0.50) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL7410134 | 0.81 | MEN1 (0.50) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL7359155 | 0.80 | MEN1 (0.55) | MEN1KMT2ASMN1; SMN2CA12CA1 | |
| SCHEMBL6380611 | 0.79 | MEN1 (0.57) | MEN1KMT2ASMN1; SMN2CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0127098-A2 | Derivatives of beta-amino-gamma-trimethylammonio-butyrate, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1984-12-05 | — | — | EP | disclosed |