Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18265983 | 0.89 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL22389019 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL25925590 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL10098419 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL10264364 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL26793441 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL15114666 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL28247081 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL621696 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL116845 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 |
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-0743320-A2 | Acyl guanidine and amidine prodrugs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-11-20 | — | — | EP | disclosed |