Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RPA1 | P27694 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL19683687 | 0.80 | CYP1A1 (0.40) | ADORA1HPGDKDM4EALDH1A1CYP1A2 | |
| SCHEMBL11545333 | 0.79 | MAOA (0.44) | MAOBMAOAMCL1ADORA3ADORA2A | |
| SCHEMBL11705784 | 0.77 | CYP1A2 (0.35) | HPGDKDM4EALDH1A1CYP1A2MAPT | |
| SCHEMBL11365381 | 0.76 | CYP1A1 (0.50) | ADORA1HPGDKDM4EALDH1A1CYP1A2 | |
| SCHEMBL11559370 | 0.76 | KMT2A (0.36) | MAOBMAOAKDM4EALDH1A1CYP2A6 | |
| SCHEMBL11623919 | 0.76 | DHODH (0.49) | HPGDKDM4EALDH1A1MAPTTSHR | |
| SCHEMBL11557970 | 0.75 | KCNA3 (0.35) | MAOBMAOAMCL1ALDH1A1CYP1A2 | |
| SCHEMBL11546467 | 0.75 | MEN1 (0.42) | MAOBMAOAMCL1ADORA3ADORA2A | |
| SCHEMBL28538536 | 0.75 | MCL1 (0.53) | MAOBMAOAMCL1ADORA3ADORA2A | |
| SCHEMBL29018212 | 0.74 | MAOA (0.40) | MAOBMAOAMCL1ADORA3ADORA2A |
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-4145554-A | BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES | ELI LILLY AND COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4141990-A | BACTERICIDES, FUNGICIDES | RIKER LABORATORIES, INC. (US) | 1979-02-27 | — | — | US | disclosed |