Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | PTPRC | P08575 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7046321 | 0.88 | TTR (0.46) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL594370 | 0.83 | FOLH1 (0.59) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL3552327 | 0.82 | RXRA (0.48) | TTRCYP2C8FOLH1RXRARXRB | |
| SCHEMBL3104353 | 0.81 | KDM4C (0.53) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL29562805 | 0.81 | TTR (0.52) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL22729968 | 0.81 | TTR (0.52) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| Water SCHEMBL28745832 | 0.81 | FOLH1 (0.57) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL8691789 | 0.80 | TSHR (0.52) | TTRPTPRCALDH1A1CYP2C8CYP2C9 | |
| SCHEMBL10137801 | 0.79 | BCAT2 (0.57) | ALDH1A1POLBKMT2A | |
| SCHEMBL27736136 | 0.78 | CYP2C8 (0.71) | TTRALDH1A1CYP2C8CYP2C9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101208342-A | Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists | WYETH CORP (US) | 2008-06-25 | — | — | CN | disclosed |