Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.64 |
| ▸ | CCR5 | P51681 | 1/20 | 0.64 |
| ▸ | CCR8 | P51685 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | JMJD6 | Q6NYC1 | 6/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Abametapir SCHEMBL351152 | 0.80 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6METAP2 | |
| Abametapir SCHEMBL29374261 | 0.80 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL16561247 | 0.78 | SCN4A (0.49) | KMT2AJMJD6KEAP1CYP19A1GRM5 | |
| SCHEMBL29972469 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL2147232 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL25324367 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL30509507 | 0.78 | SCN4A (0.49) | KMT2AJMJD6KEAP1CYP19A1GRM5 | |
| SCHEMBL30509528 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL28316565 | 0.78 | KEAP1 (0.58) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL12461122 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KMT2A |
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-2012027234-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |