Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4901736 | 1.00 | CTSC (0.50) | CTSCNPC1RAB9ACYP1A2SLC1A3 | |
| SCHEMBL1519814 | 1.00 | CTSC (0.50) | CTSCNPC1RAB9ACYP1A2SLC1A3 | |
| SCHEMBL4425402 | 0.82 | CTSC (0.71) | CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5906582 | 0.82 | CTSC (0.71) | CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17973557 | 0.81 | CTRB1 (0.59) | CTRB1 | |
| SCHEMBL2550290 | 0.81 | FPR2 (0.44) | CTSCL3MBTL1 | |
| SCHEMBL18262685 | 0.81 | LDHA (0.55) | — | |
| SCHEMBL18262683 | 0.81 | LDHA (0.55) | — | |
| SCHEMBL3177171 | 0.79 | ACE (0.47) | CTSCNPC1RAB9ACYP1A2SLC1A3 | |
| SCHEMBL17865714 | 0.79 | CTSS (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3037418-A1 | INDOLE COMPOUND AS INHIBITOR OF NECROSIS | LG Life Sciences Ltd. (KR) | 2016-06-29 | — | — | EP | disclosed |