Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19035791 | 0.89 | PSMB1 (0.47) | PSMB1PSMB5PSMB2MEN1KMT2A | |
| SCHEMBL19035793 | 0.88 | PSMB1 (0.49) | PSMB1PSMB5PSMB2MEN1KMT2A | |
| SCHEMBL19035796 | 0.77 | HRH3 (0.40) | ALDH1A1PSMB1PSMB5PSMB2MEN1 | |
| SCHEMBL19035795 | 0.75 | ATM (0.42) | ALDH1A1L3MBTL1MEN1KMT2AHRH3 | |
| SCHEMBL21861967 | 0.74 | CYP2D6 (0.51) | ALDH1A1CYP2D6CYP2C19L3MBTL1MEN1 | |
| SCHEMBL16605502 | 0.74 | CYP2D6 (0.44) | ALDH1A1CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL22282216 | 0.73 | HRH3 (0.46) | CYP2D6HRH3KDM4EMAOB | |
| SCHEMBL10896276 | 0.71 | CA12 (0.45) | ALDH1A1TSHRHTT | |
| SCHEMBL18068162 | 0.70 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL23407993 | 0.69 | ALDH1A1 (0.49) | ALDH1A1CYP2D6L3MBTL1MEN1KMT2A |
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-9687548-B2 | Photoactivatable caged tamoxifen and tamoxifen derivative molecules and methods of use thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-06-27 | — | — | US | disclosed |