Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9924330 | 0.92 | GRM5 (0.47) | GRM5CCR3NPC1CXCR6ALDH1A1 | |
| SCHEMBL9924257 | 0.91 | GRM5 (0.42) | GRM5CCR3NPC1CXCR6ALDH1A1 | |
| SCHEMBL9924333 | 0.89 | NPC1 (0.44) | GRM5CCR3NPC1MCHR1RAB9A | |
| SCHEMBL9924331 | 0.87 | NPC1 (0.40) | GRM5CCR3NPC1CXCR6ALDH1A1 | |
| SCHEMBL9924457 | 0.87 | NPC1 (0.43) | GRM5CCR3NPC1MCHR1RAB9A | |
| SCHEMBL9924083 | 0.86 | NPC1 (0.44) | GRM5CCR3NPC1MCHR1RAB9A | |
| SCHEMBL9924071 | 0.86 | KMT2A (0.43) | GRM5NPC1ALDH1A1TSHRMCHR1 | |
| SCHEMBL9924070 | 0.85 | GRM4 (0.40) | ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL9924332 | 0.81 | SLC6A9 (0.41) | GRM5CCR3NPC1CXCR6RAB9A | |
| SCHEMBL9924222 | 0.80 | CYP2D6 (0.44) | GRM5NPC1TSHRRAB9AMEN1 |
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-9169199-B2 | Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-10-27 | — | — | US | disclosed |
| WO-2012078867-A2 | CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |