Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.60 |
| ▸ | PLAU | P00749 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1185724 | 0.98 | SIGMAR1 (0.62) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| Bicarbonate SCHEMBL8492631 | 0.92 | NPC1 (0.61) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| Bicarbonate SCHEMBL27820322 | 0.92 | NPC1 (0.61) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| Nitrous Acid SCHEMBL5998989 | 0.91 | SIGMAR1 (0.58) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| Nitric Acid SCHEMBL1363033 | 0.88 | PLAU (0.54) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| SCHEMBL4110126 | 0.85 | SIGMAR1 (0.56) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| Hydrochloric Acid SCHEMBL20340289 | 0.84 | SIGMAR1 (0.55) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| SCHEMBL6720800 | 0.84 | TP53 (0.60) | SIGMAR1PLAUTP53TSHRRXFP1 | |
| SCHEMBL73372 | 0.81 | KMT2A (0.62) | SIGMAR1TP53TSHRRXFP1SMN1; SMN2 | |
| SCHEMBL166106 | 0.81 | TP53 (0.66) | SIGMAR1PLAUTP53TSHRRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102180870-B | { 4 [2 (aryl methyl amine) 4 methylthiazol 5] pyrimidine 2} aryl amine derivatives, preparation method and the pharmaceutical applications of described derivant | ZHEJIANG PHARMACEUTICAL COLLEGE (CN) | 2016-12-14 | — | — | CN | disclosed |