Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3469317 | 0.83 | APLNR (0.36) | SMN1; SMN2APLNRTSHRHPGD | |
| SCHEMBL19713336 | 0.80 | KDM4E (0.39) | MAOBMAOAAAK1EGFRERBB2 | |
| SCHEMBL24767628 | 0.79 | SMN1; SMN2 (0.36) | MAOBMAOAAAK1EGFRERBB2 | |
| SCHEMBL12251161 | 0.74 | GABRA1 (0.42) | MAOBMAOAAAK1SMN1; SMN2NOS3 | |
| SCHEMBL18638444 | 0.73 | SMN1; SMN2 (0.34) | MAOBMAOAAAK1SMN1; SMN2NOS3 | |
| SCHEMBL27945351 | 0.73 | MAOB (0.37) | MAOBMAOAAAK1SMN1; SMN2NOS3 | |
| SCHEMBL24416900 | 0.72 | MAOB (0.39) | MAOBMAOAAAK1SMN1; SMN2NOS3 | |
| SCHEMBL1780515 | 0.71 | MAOB (0.38) | MAOBMAOAAAK1SMN1; SMN2NOS3 | |
| SCHEMBL392560 | 0.70 | MAOB (0.47) | MAOBMAOAAAK1EGFRERBB2 | |
| SCHEMBL22904500 | 0.70 | KMT2A (0.45) | AAK1EGFRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |