Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8434452 | 0.87 | MMP8 (0.52) | PIN1MMP8RIPK1ALDH1A1RECQL | |
| SCHEMBL12802659 | 0.86 | RIPK1 (0.49) | PIN1MMP8RIPK1ALDH1A1RECQL | |
| SCHEMBL29277114 | 0.85 | PIN1 (0.45) | PIN1MMP8ALDH1A1RECQLTSHR | |
| SCHEMBL28017217 | 0.84 | PIN1 (0.45) | PIN1MMP8RIPK1ALDH1A1RECQL | |
| SCHEMBL29277094 | 0.83 | TAAR1 (0.49) | PIN1MMP8RIPK1ALDH1A1RECQL | |
| SCHEMBL29277129 | 0.83 | ALDH1A1 (0.48) | PIN1MMP8ALDH1A1RECQLTSHR | |
| SCHEMBL29277098 | 0.80 | KMT2A (0.50) | ALDH1A1MAPTKMT2AKDM4EHPGD | |
| SCHEMBL9849152 | 0.80 | ALDH1A1 (0.67) | PIN1MMP8RIPK1ALDH1A1RECQL | |
| SCHEMBL29277123 | 0.78 | ALDH1A1 (0.60) | PIN1MMP8ALDH1A1RECQLTSHR | |
| SCHEMBL852520 | 0.75 | PKM (0.53) | ALDH1A1EPHX2TSHRCYP4F2CYP4A11 |
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-117263760-A | Method for synthesizing tetrahydrobenzene-1-formamide compound by photocatalysis | 西南医科大学 | 2023-12-22 | — | — | CN | disclosed |