Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF4E | P06730 | 10/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3590056 | 0.80 | EIF4E (0.44) | EIF4ECYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1446807 | 0.78 | EIF4E (0.42) | EIF4ECYP19A1CYP11B1CYP11B2 | |
| SCHEMBL4947748 | 0.74 | PTGES (0.38) | PIN1CYP19A1MAPTABCB1KDM4E | |
| SCHEMBL4948714 | 0.70 | MAPT (0.37) | MAPTABCB1LMNASMN1; SMN2POLB | |
| SCHEMBL28776335 | 0.69 | EIF4E (0.46) | EIF4ECYP19A1CYP11B1CYP11B2MAPT | |
| SCHEMBL4942728 | 0.67 | SMN1; SMN2 (0.37) | CYP19A1MAPTABCB1KDM4ESMN1; SMN2 | |
| SCHEMBL21199376 | 0.66 | KDM4E (0.49) | CYP19A1MAPTKDM4ENPC1LMNA | |
| SCHEMBL3581708 | 0.65 | TUBB4A (0.41) | PIN1CYP19A1CYP11B1CYP11B2NPC1 | |
| SCHEMBL3581595 | 0.64 | POLB (0.47) | MAPTKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4942826 | 0.64 | POLB (0.35) | CYP19A1CYP11B1CYP11B2MAPTABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |