Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | VDR | P11473 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.61 |
| ▸ | AHR | P35869 | 1/20 | 0.61 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.61 |
| ▸ | DHODH | Q02127 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8816887 | 0.92 | PARP1 (0.53) | PARP1AURKANR1I2CYP1A2VDR | |
| SCHEMBL8814866 | 0.88 | KDM4E (0.61) | PARP1AURKACYP1A2DHODHNPC1 | |
| SCHEMBL4457030 | 0.85 | DHODH (0.53) | PARP1DHODHNPC1TP53HPGD | |
| SCHEMBL8814874 | 0.84 | PARP1 (0.63) | PARP1DHODHTP53HPGDKDM4E | |
| SCHEMBL230979 | 0.82 | DHODH (0.53) | PARP1CYP1A2DHODHNPC1RAB9A | |
| SCHEMBL31027957 | 0.82 | DHODH (0.59) | PARP1CYP1A2DHODHNPC1RAB9A | |
| SCHEMBL8817536 | 0.82 | NR1I3 (0.58) | PARP1NR1I3DHODHNPC1RAB9A | |
| SCHEMBL8816555 | 0.82 | DHODH (0.51) | PARP1DHODHNPC1RAB9AMAPK14 | |
| SCHEMBL8818585 | 0.82 | PARP1 (0.62) | PARP1DHODHTP53HPGDKDM4E | |
| SCHEMBL7146754 | 0.81 | DHODH (0.62) | PARP1CYP1A2DHODHNPC1RAB9A |
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 2 patents. 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 |
| WO-1997031635-A1 | METHODS OF TREATING OR PREVENTING SLEEP APNEA | ELI LILLY AND COMPANY (US) | 1997-09-04 | — | — | WO | disclosed |