Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12819456 | 0.84 | KDM4E (0.68) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL31059180 | 0.84 | KDM4E (0.68) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL31059181 | 0.84 | KDM4E (0.68) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL8894718 | 0.83 | MAPT (0.50) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL996631 | 0.80 | KDM4E (0.51) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL7035522 | 0.80 | KDM4E (0.71) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL6033690 | 0.80 | KDM4E (0.67) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL14067402 | 0.78 | KDM4E (0.60) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL172602 | 0.78 | KDM4E (0.65) | KDM4ETSHRTDP1POLBNPSR1 | |
| SCHEMBL3932945 | 0.77 | KDM4E (0.56) | KDM4ETSHRTDP1POLBNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5482947-A | ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS | TALLEY JOHN J (US) | 1996-01-09 | — | — | US | claimed |
| US-5610190-A | Retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1997-03-11 | — | — | US | disclosed |
| US-5475027-A | Retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1995-12-12 | — | — | US | disclosed |
| WO-1993023368-A1 | UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1993-11-25 | — | — | WO | disclosed |