Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 8/20 | 0.46 |
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL263713 | 0.84 | — | — | |
| SCHEMBL169063 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL23012132 | 0.82 | TSHR (0.50) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| SCHEMBL17966681 | 0.82 | TSHR (0.50) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| SCHEMBL166439 | 0.82 | — | — | |
| SCHEMBL15143091 | 0.81 | NPC1 (0.43) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| Lithium Ion SCHEMBL17966682 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| Hydrochloric Acid SCHEMBL1081474 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| SCHEMBL8244373 | 0.79 | SMN1; SMN2 (0.45) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 | |
| SCHEMBL4425064 | 0.79 | OPRM1 (0.52) | SMN1; SMN2TSHRNPC1RAB9ANFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109232358-A | Indole derivatives or its salt and its preparation method and application | 复旦大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-1039079-C | Pesticidal 1-arylpyrroles | RHONE POULENC AGROCHIMIE (FR) | 1998-07-15 | — | — | CN | disclosed |
| CN-1057050-A | 1-arylpyrrole insecticidal medicine | RHONE POULENC AGROCHIMIE (FR) | 1991-12-18 | — | — | CN | disclosed |