Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | EIF4A1 | P60842 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046883 | 0.88 | SMN1; SMN2 (0.41) | ALDH1A1TDP1TP53MAPTPOLB | |
| SCHEMBL4054235 | 0.82 | CYP19A1 (0.40) | ALDH1A1TDP1HTTMAPTPOLB | |
| SCHEMBL22125983 | 0.81 | HTT (0.38) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL7060589 | 0.81 | HTT (0.38) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL2173244 | 0.81 | LMNA (0.52) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL27247652 | 0.81 | RAB9A (0.44) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL4855416 | 0.81 | MAPT (0.48) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL25229750 | 0.81 | MAPT (0.56) | ALDH1A1TDP1CYP3A4ALOX15TP53 | |
| SCHEMBL15508768 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4HTTMAPT | |
| SCHEMBL4050421 | 0.80 | CYP19A1 (0.40) | ALDH1A1TDP1CYP3A4HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392312-A1 | TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002055083-A1 | TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |