Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303072 | 0.86 | RAB9A (0.46) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL8302193 | 0.86 | RAB9A (0.46) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL9704532 | 0.81 | ALDH1A1 (0.62) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL8300334 | 0.77 | RAB9A (0.50) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL9705864 | 0.75 | RAB9A (0.58) | CYP1A2RAB9AALDH1A1LMNACHRM2 | |
| SCHEMBL8301869 | 0.74 | CHRM2 (0.48) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL30373507 | 0.74 | ALDH1A1 (0.36) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL9174480 | 0.73 | RAB9A (0.60) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL8790773 | 0.73 | RAB9A (0.53) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL9705877 | 0.73 | CYP1A2 (0.53) | CYP1A2SMN1; SMN2RAB9AALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0429987-B1 | 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 1999-03-17 | — | — | EP | claimed |
| EP-0429987-B1 | 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 1999-03-17 | — | — | EP | disclosed |
| EP-0482481-A1 | Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1992-04-29 | — | — | EP | disclosed |