Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4946428 | 0.86 | NPSR1 (0.52) | ALDH1A1USP2NPSR1NPC1RAB9A | |
| SCHEMBL4937656 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL4944377 | 0.85 | ALDH1A1 (0.49) | ALDH1A1USP2KDM4ENPSR1RAB9A | |
| SCHEMBL4942571 | 0.84 | ALDH1A1 (0.46) | ALDH1A1USP2KDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL4940554 | 0.83 | ALDH1A1 (0.47) | ALDH1A1USP2NPSR1HPGDLMNA | |
| SCHEMBL4937715 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPSR1SMN1; SMN2HPGDMAPT | |
| SCHEMBL4944589 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPSR1SMN1; SMN2HPGD | |
| SCHEMBL4944875 | 0.82 | ALDH1A1 (0.46) | ALDH1A1USP2KDM4ENPSR1HPGD | |
| SCHEMBL4945554 | 0.82 | ALDH1A1 (0.46) | ALDH1A1USP2NPSR1HPGDMAPT | |
| SCHEMBL8348833 | 0.81 | MAPT (0.40) | ALDH1A1USP2KDM4ENPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003053437-A1 | TRIAZOLES AS OXYTOCIN ANTAGONISTS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-07-03 | — | — | WO | disclosed |