Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL692555 | 0.85 | HTR1A (0.67) | HTR1ADRD2LMNAGAAKDM4E | |
| SCHEMBL6830502 | 0.83 | DRD2 (0.50) | HTR1ADRD2TSHRLMNAGAA | |
| SCHEMBL13009602 | 0.79 | HTR1A (0.74) | HTR1ADRD2LMNAGAAKDM4E | |
| SCHEMBL29036357 | 0.79 | APP (0.54) | HTR1ADRD2TSHRLMNAGAA | |
| SCHEMBL8783688 | 0.77 | L3MBTL1 (0.51) | HTR1ADRD2LMNAGAAKDM4E | |
| SCHEMBL2985019 | 0.76 | CARM1 (0.55) | HTR1ADRD2LMNAGAAKDM4E | |
| SCHEMBL27720646 | 0.76 | KCNA3 (0.56) | TSHRGAAKDM4EMAPTTDP1 | |
| SCHEMBL8791574 | 0.76 | TSHR (0.62) | HTR1ADRD2TSHRLMNAGAA | |
| SCHEMBL17974168 | 0.75 | RXRA (0.53) | HTR1ADRD2TSHRLMNAKDM4E | |
| SCHEMBL6672651 | 0.75 | TSHR (0.50) | HTR1ADRD2TSHRLMNAGAA |
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-2004069774-A2 | SYNTHESIS OF 13C-LABELLED ESTROGEN ANALOGUES | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2004-08-19 | — | — | WO | disclosed |