Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3526852 | 0.90 | ALDH1A1 (0.56) | ALDH1A1SLC6A3KMT2AMMP8MEN1 | |
| Hydrochloric Acid SCHEMBL3529550 | 0.89 | ALDH1A1 (0.54) | ALDH1A1SLC6A3KMT2AMMP8MEN1 | |
| SCHEMBL8475858 | 0.86 | LMNA (0.51) | ALDH1A1KMT2ASRCMMP8MEN1 | |
| SCHEMBL2914808 | 0.82 | KMT2A (0.64) | ALDH1A1KMT2ASRCMMP8MEN1 | |
| SCHEMBL11155958 | 0.82 | SRC (0.61) | ALDH1A1KMT2ASRCMEN1RAB9A | |
| SCHEMBL24254586 | 0.81 | RAB9A (0.51) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL25376687 | 0.81 | CYP1A2 (0.52) | ALDH1A1SLC6A3KMT2ASRCMMP8 | |
| SCHEMBL5239448 | 0.81 | LMNA (0.42) | ALDH1A1SLC6A3KMT2ASRCNPC1 | |
| SCHEMBL8672582 | 0.79 | SRC (0.46) | ALDH1A1SRCNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7934481 | 0.77 | AKR1C3 (0.47) | ALDH1A1KMT2ACNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5324648-A | Anticoagulants; antitumor agents | GEORGIA TECH RESEARCH CORPORATION (US) | 1994-06-28 | — | — | US | disclosed |
| US-4954519-A | Isocoumarins with basic substituents as serine proteases inhibitors, anticoagulants and anti-inflammatory agents | GEORGIA TECH RESEARCH CORPORATION (US) | 1990-09-04 | — | — | US | disclosed |