Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300618 | 0.85 | ALDH1A1 (0.62) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8790717 | 0.81 | RAB9A (0.53) | ALDH1A1LMNARAB9ACHRM2SMN1; SMN2 | |
| SCHEMBL8889005 | 0.79 | CYP2C9 (0.49) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8300301 | 0.78 | CYP2C9 (0.53) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8887366 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL9705880 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8888719 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8891082 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8303477 | 0.76 | CYP2C9 (0.58) | ALDH1A1MAPK1LMNAPOLBADORA3 | |
| SCHEMBL8887469 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNAPOLBADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571809-A | The treatment of HIV-1 infection using certain pyridodiazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-11-05 | — | — | US | claimed |