Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.30 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365232 | 0.71 | CYP19A1 (0.34) | KDM4EALDH1A1ALOX15CYP19A1MAPT | |
| SCHEMBL3369602 | 0.69 | CYP19A1 (0.36) | ALDH1A1CYP19A1MAPTNPC1USP2 | |
| SCHEMBL7148689 | 0.65 | CHRNB2 (0.34) | ALDH1A1 | |
| SCHEMBL755729 | 0.65 | CYP19A1 (0.54) | ALDH1A1CYP19A1PKMMAPTNAMPT | |
| SCHEMBL5720902 | 0.61 | CYP19A1 (0.42) | KDM4EALDH1A1ALOX15CYP19A1NPC1 | |
| N-Propyl Isonicotinate SCHEMBL4951536 | 0.60 | LMNA (0.67) | KDM4EALDH1A1MAPTNPC1USP2 | |
| Bromide SCHEMBL10913811 | 0.59 | NAMPT (0.43) | KDM4EALDH1A1CYP19A1PKMMAPT | |
| SCHEMBL9648777 | 0.59 | MAPT (0.42) | MAPT | |
| SCHEMBL4192926 | 0.59 | LMNA (0.55) | ALDH1A1GAAKMT2A | |
| N-Propyl Isonicotinate SCHEMBL28467485 | 0.59 | LMNA (0.65) | KDM4EALDH1A1MAPTNPC1USP2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575486-A4 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1711617-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| EP-1620445-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-02-01 | — | — | EP | disclosed |
| EP-1575486-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-09-21 | — | — | EP | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2004096818-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| WO-2003090691-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |