Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | SI | P14410 | 3/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7246922 | 0.81 | NPC1 (0.40) | NPC1RAB9AMGAMGAASI | |
| SCHEMBL7261494 | 0.81 | CXCL8 (0.43) | NPC1RAB9AHPGDPTGS1PARP1 | |
| SCHEMBL24995382 | 0.80 | HSD17B10 (0.49) | LMNAEGFRGABRA1GABRG2GABRB3 | |
| SCHEMBL13192695 | 0.80 | PARP1 (0.50) | LMNAEGFRMGAMGAASI | |
| SCHEMBL15111522 | 0.80 | PARP1 (0.44) | NPC1RAB9APARP1 | |
| SCHEMBL20315207 | 0.79 | NUDT1 (0.47) | LMNAEGFRGAAGABRA1GABRG2 | |
| SCHEMBL9305449 | 0.79 | LMNA (0.38) | LMNAEGFRMGAMGAASI | |
| SCHEMBL19002278 | 0.79 | GABRA1 (0.45) | LMNAEGFRMGAMGAASI | |
| SCHEMBL8713612 | 0.79 | LMNA (0.38) | LMNAEGFRMGAMGAASI | |
| SCHEMBL10694372 | 0.78 | LMNA (0.45) | LMNAEGFRGABRA1GABRG2GABRB3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282762-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |
| EP-0039190-A1 | 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-11-04 | — | — | EP | disclosed |