Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL22400 | 0.81 | ALDH1A1 (0.53) | SMN1; SMN2CYP1A2LMNAKDM4EALDH1A1 | |
| SCHEMBL25743 | 0.79 | TDP1 (0.58) | SMN1; SMN2LMNAKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL10353337 | 0.77 | THRB (0.45) | SMN1; SMN2PKMNPSR1LMNAALDH1A1 | |
| SCHEMBL6615188 | 0.77 | TOP2A (0.40) | SMN1; SMN2CYP1A2CYP2D6LMNAKDM4E | |
| SCHEMBL10352518 | 0.76 | TSHR (0.37) | NPSR1KDM4EALDH1A1L3MBTL1KMT2A | |
| SCHEMBL19212286 | 0.76 | HPGD (0.40) | SMN1; SMN2PKMLMNAKDM4EALDH1A1 | |
| SCHEMBL23850230 | 0.75 | HCAR2 (0.41) | LMNAALDH1A1POLBMAPT | |
| SCHEMBL2209032 | 0.75 | CA2 (0.38) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL7845794 | 0.74 | L3MBTL1 (0.49) | SMN1; SMN2PKMLMNAALDH1A1L3MBTL1 | |
| SCHEMBL6103223 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAL3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5314908-A | Compounds useful as antiproliferative agents | WHITBY RESEARCH, INC. (US) | 1994-05-24 | — | — | US | disclosed |
| EP-0549916-A2 | Compounds useful as antiproliferative agents | WHITBY RESEARCH, Inc. (US) | 1993-07-07 | — | — | EP | disclosed |
| US-5206377-A | Compounds useful as antiproliferative agents | WHITBY RESEARCH, INC. (US) | 1993-04-27 | — | — | US | disclosed |