Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11469392 | 0.77 | CNR2 (0.42) | GPR84ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL11472295 | 0.75 | GPR84 (0.62) | GPR84ALDH1A1TDP1LMNATP53 | |
| P-Xylene SCHEMBL28199835 | 0.72 | CNR2 (0.57) | ALDH1A1TDP1LMNATP53NPC1 | |
| SCHEMBL13108702 | 0.71 | GPR84 (0.61) | GPR84ALDH1A1LMNANPSR1MAPT | |
| SCHEMBL11485851 | 0.69 | TP53 (0.54) | GPR84ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL11858723 | 0.69 | GPR84 (0.41) | GPR84ALDH1A1PDE10AHSD11B1TP53 | |
| SCHEMBL6546128 | 0.69 | CALM1 (0.60) | ALDH1A1LMNATP53ATML3MBTL1 | |
| SCHEMBL6546453 | 0.69 | CYP1A2 (0.52) | TDP1CNR2 | |
| SCHEMBL2494547 | 0.69 | CYP1A2 (0.52) | ALDH1A1NPC1RAB9ACNR2ATM | |
| Toluene SCHEMBL9579054 | 0.69 | ALOX12 (0.55) | ALDH1A1HTR2ATDP1LMNATP53 |
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-4018923-A | 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |
| US-4013654-A | ANTIINFLAMMATORY | ELI LILLY AND COMPANY (US) | 1977-03-22 | — | — | US | disclosed |