Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL28579899 | 0.86 | CES2 (0.54) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL37018 | 0.86 | — | — | |
| Thiobenzoic Acid SCHEMBL160729 | 0.86 | ALDH1A1 (0.50) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL15282156 | 0.86 | ALDH1A1 (0.50) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL28199536 | 0.86 | ALDH1A1 (0.50) | TSHRCES2CES1MEN1KMT2A | |
| SCHEMBL11367245 | 0.83 | TSHR (0.55) | TSHRCES2CES1NPC1ALDH1A1 | |
| Thiobenzoic Acid SCHEMBL11305253 | 0.83 | ALDH1A1 (0.48) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL284149 | 0.83 | ALDH1A1 (0.48) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL21806751 | 0.83 | ALDH1A1 (0.48) | TSHRCES2CES1MEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL20741485 | 0.83 | MAPT (0.48) | TSHRCES2CES1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107722049-B | Preparation and application of novel ionic binuclear Schiff base titanium complex | 山西医科大学 | 2020-06-30 | — | — | CN | disclosed |
| CN-107722049-A | A kind of preparation and its application of novel ionic double-core schiff bases titanium complex | 山西医科大学 | 2018-02-23 | — | — | CN | disclosed |