Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL7587498 | 0.78 | NPC1 (0.37) | SMN1; SMN2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL13571355 | 0.72 | TSHR (0.48) | SMN1; SMN2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL27780544 | 0.72 | SHBG (0.59) | CYP3A4SHBGCNR1CNR2ESR1 | |
| SCHEMBL7909459 | 0.71 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP3A4ACACBPOLBNR4A2 | |
| SCHEMBL5777587 | 0.71 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL22458652 | 0.71 | CES2 (0.40) | — | |
| SCHEMBL14828478 | 0.70 | ESR2 (0.61) | CYP3A4MAPTSHBGESR1ESR2 | |
| SCHEMBL873051 | 0.70 | TAAR1 (0.54) | SMN1; SMN2CYP3A4MAPTESR1ESR2 | |
| SCHEMBL7897756 | 0.69 | KDM4E (0.35) | MAPTRXRARXRB | |
| Ammonia Solution, Strong SCHEMBL28211119 | 0.69 | TAAR1 (0.52) | SMN1; SMN2CYP3A4MAPTESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6204293-B1 | INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH | UNIVERSITY OF PITTSBURGH | 2001-03-20 | — | — | US | disclosed |
| WO-1998050031-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1998-11-12 | — | — | WO | disclosed |