Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | JUN | P05412 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | VCP | P55072 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736238 | 0.93 | TNFSF11 (0.55) | TSHRNR3C1JUNNFKB1TNFSF11 | |
| SCHEMBL26667036 | 0.84 | MAPT (0.47) | TSHRNR3C1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL4303046 | 0.81 | KDM4E (0.43) | TSHRNR3C1TNFSF11PTGS1RAB9A | |
| SCHEMBL196363 | 0.81 | TSHR (0.47) | TSHRNR3C1JUNNFKB1TNFSF11 | |
| SCHEMBL10425842 | 0.81 | TSHR (0.66) | TSHRNR3C1JUNNFKB1TNFSF11 | |
| SCHEMBL16978294 | 0.81 | KDM4E (0.45) | TSHRNR3C1JUNNFKB1TNFSF11 | |
| SCHEMBL19028019 | 0.81 | FGFR1 (0.53) | TSHRVCPMAPT | |
| SCHEMBL31277237 | 0.80 | CA2 (0.54) | TSHRNR3C1ALDH1A1KDM4E | |
| SCHEMBL470124 | 0.80 | CA2 (0.54) | TSHRNR3C1ALDH1A1KDM4E | |
| SCHEMBL2729632 | 0.79 | TSHR (0.64) | TSHRNR3C1JUNNFKB1TNFSF11 |
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 |