Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.77 |
| ▸ | RAB9A | P51151 | 8/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.77 |
| ▸ | MAPT | P10636 | 4/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | PKM | P14618 | 2/20 | 0.73 |
| ▸ | GAA | P10253 | 6/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.66 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.66 |
| ▸ | P2RX5 | Q93086 | 1/20 | 0.66 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | EGFR | P00533 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.61 |
| ▸ | RELA | Q04206 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11238457 | 0.85 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL4409690 | 0.78 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL13547676 | 0.77 | GAA (1.00) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL19478515 | 0.76 | GAA (1.00) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL4727186 | 0.75 | RAB9A (0.81) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL5330501 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12098605 | 0.75 | MAPT (0.72) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3519624 | 0.75 | RAB9A (0.70) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12827566 | 0.74 | RAB9A (0.78) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12083878 | 0.74 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | disclosed |