Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL446561 | 0.94 | ALOX12 (0.40) | KMT2AALOX12CCR5CYP19A1L3MBTL1 | |
| SCHEMBL8097458 | 0.93 | ALOX12 (0.36) | HTTKMT2AALOX12CCR5CYP19A1 | |
| SCHEMBL8095564 | 0.92 | ALOX12 (0.36) | SMN1; SMN2TSHRHTTKMT2AALOX12 | |
| SCHEMBL8088418 | 0.92 | CYP2C9 (0.40) | KMT2AALOX12CCR5CYP19A1CCR2 | |
| SCHEMBL8095471 | 0.91 | ATM (0.39) | SMN1; SMN2HTTKMT2AALOX12CCR5 | |
| SCHEMBL8097934 | 0.89 | KMT2A (0.46) | KMT2AALOX12CCR5CYP19A1CCR2 | |
| SCHEMBL8101381 | 0.89 | CCR5 (0.38) | KMT2AALOX12CCR5CYP19A1CCR2 | |
| SCHEMBL8104356 | 0.86 | CCR5 (0.39) | SMN1; SMN2KMT2AALOX12CCR5CYP19A1 | |
| SCHEMBL8095905 | 0.86 | GSK3B (0.38) | TSHRALOX12L3MBTL1NPSR1GPBAR1 | |
| SCHEMBL8095399 | 0.85 | CYP3A4 (0.44) | SMN1; SMN2HTTKMT2AL3MBTL1CCR2 |
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-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |