Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 2/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7589548 | 0.85 | HDAC3 (0.36) | CNR1TAAR1PLAAT5PLAAT4HDAC3 | |
| SCHEMBL7585551 | 0.85 | CNR1 (0.46) | CNR1TAAR1NLRP3 | |
| SCHEMBL7673079 | 0.85 | ALDH1A1 (0.51) | CNR1NPC1RAB9ATAAR1PLAAT5 | |
| SCHEMBL7599731 | 0.85 | CNR1 (0.42) | CNR1NPC1RAB9ATAAR1NLRP3 | |
| SCHEMBL7567769 | 0.83 | PARP15 (0.48) | CNR1NPC1RAB9ATAAR1NLRP3 | |
| SCHEMBL7588694 | 0.82 | RAB9A (0.51) | CNR1RAB9ACA1CA2HDAC1 | |
| SCHEMBL7594776 | 0.77 | HPGD (0.46) | CNR1NPC1RAB9ATAAR1PLAAT5 | |
| SCHEMBL7783082 | 0.76 | CA12 (0.55) | CA12CA1CA2 | |
| SCHEMBL7865609 | 0.76 | TRPV1 (0.40) | CNR1NPC1RAB9ATAAR1HDAC3 | |
| SCHEMBL7599218 | 0.76 | RAB9A (0.48) | CNR1NPC1RAB9A |
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-1137645-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034260-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |