Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12832331 | 0.93 | NPC1 (0.39) | NPC1SIGMAR1RETALDH1A1CHRM2 | |
| SCHEMBL31495554 | 0.88 | — | — | |
| SCHEMBL11025643 | 0.87 | SIGMAR1 (0.47) | NPC1SIGMAR1PKMKDM4EALDH1A1 | |
| SCHEMBL3798931 | 0.86 | NPC1 (0.47) | NPC1SIGMAR1EPHX1CARM1PRMT1 | |
| SCHEMBL21101264 | 0.85 | NPC1 (0.34) | NPC1SIGMAR1RETALDH1A1ATP1A1 | |
| SCHEMBL5004340 | 0.83 | RET (0.37) | NPC1RET | |
| SCHEMBL10049794 | 0.82 | RET (0.34) | NPC1RET | |
| SCHEMBL15305955 | 0.82 | RET (0.34) | NPC1RET | |
| SCHEMBL23596215 | 0.81 | RET (0.33) | NPC1RETATP1A1ATP1B1ATP1A3 | |
| SCHEMBL11959195 | 0.80 | ALDH1A1 (0.36) | RETPOLBALDH1A1CHRM2CHRM4 |
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-5986042-A | Cross-linked polymer | MITSUI CHEMICALS, INC. (JP) | 1999-11-16 | — | — | US | disclosed |
| EP-0856539-A1 | Cross-linked polymer | Mitsui Chemicals, Inc. (JP) | 1998-08-05 | — | — | EP | disclosed |