Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3860479 | 0.83 | ALDH1A1 (0.69) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL8804913 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL8007082 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL8894641 | 0.78 | ALDH1A1 (0.75) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL8211530 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL17493148 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL7861823 | 0.76 | GRM6 (0.39) | ALDH1A1HSD17B10KDM4ETSHRMAPT | |
| SCHEMBL17502694 | 0.73 | TSHR (0.57) | ALDH1A1HSD17B10TSHRCYP1A2CYP2C19 | |
| SCHEMBL27380062 | 0.73 | ALDH1A1 (0.59) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL27834285 | 0.73 | ALDH1A1 (0.76) | ALDH1A1HSD17B10KDM4EPOLBTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1067928-A4 | METHODS FOR INHIBITING MRP1 | LILLY CO ELI (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1067928-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051228-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |