Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8488183 | 1.00 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KMT2ANPC1MAPT | |
| SCHEMBL8488193 | 1.00 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KMT2ANPC1MAPT | |
| SCHEMBL8402094 | 0.85 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KMT2ANPC1MAPT | |
| SCHEMBL8486121 | 0.81 | IDO1 (0.40) | ALDH1A1MAPTTSHRHTR2AHTR2C | |
| SCHEMBL8486111 | 0.81 | IDO1 (0.40) | ALDH1A1MAPTTSHRHTR2AHTR2C | |
| SCHEMBL8486118 | 0.81 | IDO1 (0.40) | ALDH1A1MAPTTSHRHTR2AHTR2C | |
| SCHEMBL8399427 | 0.77 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KMT2ANPC1MAPT | |
| SCHEMBL6642433 | 0.75 | NOS3 (0.44) | TSHRSRD5A1NOS3NOS1NOS2 | |
| SCHEMBL14464989 | 0.74 | MMP12 (0.39) | MAPTBRD4CREBBPMMP12CYP1A2 | |
| SCHEMBL1387541 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KMT2A |
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-5977355-A | Processes and intermediates for preparing 3-amino-benzo(b)azepinones | PFIZER INC. (US) | 1999-11-02 | — | — | US | disclosed |