Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 9/20 | 0.58 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.46 |
| ▸ | TUBB | P07437 | 2/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909609 | 0.84 | ABCB1 (0.56) | ABCB1CALM1ENPP2HTR1ADRD2 | |
| SCHEMBL7922468 | 0.84 | ABCB1 (0.62) | ABCB1CALM1ABCG2HTR1ATUBB4A | |
| SCHEMBL8896923 | 0.83 | ABCB1 (0.51) | ABCB1CALM1MRGPRX4TUBB4ATUBB | |
| SCHEMBL7098373 | 0.79 | KDM4E (0.58) | ABCB1MRGPRX4TUBB4ATUBBTUBA3C | |
| SCHEMBL2356383 | 0.79 | APP (0.57) | ABCB1ABCG2MRGPRX4HTR1ATUBB4A | |
| SCHEMBL12963323 | 0.78 | ABCB1 (0.73) | ABCB1ABCG2MRGPRX4HTR1A | |
| SCHEMBL7909538 | 0.76 | ABCB1 (0.60) | ABCB1CALM1ENPP2HTR1ADRD2 | |
| SCHEMBL7909614 | 0.75 | ABCB1 (0.53) | ABCB1CALM1ENPP2HTR1ADRD2 | |
| SCHEMBL7736572 | 0.75 | ABCB1 (0.59) | ABCB1MTNR1AMTNR1BHTR1ADRD2 | |
| SCHEMBL8723684 | 0.73 | ABCB1 (0.53) | ABCB1CALM1ENPP2HTR1ADRD2 |
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-6225352-B1 | USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE | WARNER-LAMBERT COMPANY | 2001-05-01 | — | — | US | disclosed |
| WO-1998006691-A2 | LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |