Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.49 |
| ▸ | RXRB | P28702 | 3/20 | 0.49 |
| ▸ | RXRG | P48443 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6492340 | 0.89 | IDO1 (0.48) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL153296 | 0.84 | RXRA (0.67) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL1798610 | 0.82 | MEN1 (0.45) | CYP3A4IDO1CES2 | |
| SCHEMBL12301741 | 0.82 | TACR1 (0.40) | RXRARXRBRXRGTACR1IDO1 | |
| SCHEMBL5389064 | 0.82 | RXRA (0.49) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL17790719 | 0.81 | TACR1 (0.46) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL1295226 | 0.81 | HSP90AB1 (0.50) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5394073 | 0.81 | RXRA (0.48) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL16959565 | 0.78 | RXRA (0.39) | RXRARXRBRXRGCYP3A4ALDH1A1 | |
| SCHEMBL5670894 | 0.78 | CYP3A4 (0.56) | CYP3A4ALDH1A1TACR1HTTLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1054886-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |
| WO-1999040088-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-08-12 | — | — | WO | disclosed |