Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9146801 | 0.81 | METAP1 (0.37) | TDP1 | |
| SCHEMBL16382086 | 0.81 | EPHX1 (0.44) | TAAR1 | |
| SCHEMBL9145354 | 0.81 | ALDH1A1 (0.33) | KDM1ATAAR1 | |
| SCHEMBL9233824 | 0.79 | EPHX2 (0.45) | — | |
| SCHEMBL8851033 | 0.78 | SMYD3 (0.41) | TDP1 | |
| SCHEMBL8851413 | 0.78 | LMNA (0.41) | — | |
| SCHEMBL8851151 | 0.77 | ALDH1A1 (0.34) | TAAR1 | |
| SCHEMBL8851045 | 0.76 | ALDH1A1 (0.40) | TDP1 | |
| SCHEMBL8850964 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL2095567 | 0.74 | GNAI3 (0.38) | — |
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-5391556-A | Thrombin inhibitors | KARL THOMAE GMBH (DE) | 1995-02-21 | — | — | US | disclosed |
| EP-0555824-A1 | N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1993-08-18 | — | — | EP | disclosed |