Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 16/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8818796 | 0.85 | CHEK2 (0.40) | DHODHCYP1A2CYP2D6RPS6KA3PARP1 | |
| SCHEMBL8075125 | 0.84 | ACHE (0.45) | DHODHRPS6KA3PARP1 | |
| SCHEMBL8814859 | 0.81 | ACHE (0.47) | DHODHRPS6KA3PARP1 | |
| SCHEMBL8916477 | 0.81 | PPARG (0.37) | DHODHLMNACYP1A2CYP2D6PPARG | |
| SCHEMBL8077969 | 0.78 | CHEK2 (0.45) | CYP1A2CYP2D6PPARGPPARA | |
| SCHEMBL8077963 | 0.77 | MAP4K4 (0.49) | PPARGPPARA | |
| SCHEMBL8818537 | 0.76 | RPS6KA3 (0.34) | DHODHRPS6KA3PARP1 | |
| SCHEMBL8818630 | 0.74 | CHEK2 (0.41) | RPS6KA3KDM4ENPC1ALDH1A1MAPT | |
| SCHEMBL8814784 | 0.73 | ACHE (0.45) | KDM4ENPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL8079418 | 0.73 | PARP1 (0.41) | LMNAPARP1KDM4EALDH1A1TP53 |
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-1997033873-A1 | METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS | ELI LILLY AND COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |