Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29377294 | 0.76 | KMT2A (0.70) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL156257 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL15354269 | 0.73 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL11025339 | 0.72 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL60741 | 0.69 | — | — | |
| SCHEMBL11756461 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL181841 | 0.69 | ALDH1A1 (0.74) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL459833 | 0.69 | MEN1 (0.68) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL8437671 | 0.69 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1POLBTHRB | |
| SCHEMBL7587416 | 0.68 | MEN1 (0.67) | ALDH1A1KMT2AMEN1POLBTHRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |