Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Aniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL29573098 | 0.90 | TSHR (0.65) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL321169 | 0.90 | TSHR (0.65) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL675043 | 0.90 | TSHR (0.65) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL5334646 | 0.90 | TSHR (0.65) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL7175507 | 0.90 | TSHR (0.65) | TSHRPBRM1ALDH1A1MAPTCES2 | |
| Aniline SCHEMBL28663674 | 0.87 | TSHR (0.61) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL1533980 | 0.87 | TSHR (0.61) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL28661396 | 0.87 | TSHR (0.61) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL28659856 | 0.87 | TSHR (0.61) | TSHRPBRM1CA2CA4CA5A | |
| Aniline SCHEMBL27905075 | 0.85 | TSHR (0.58) | TSHRPBRM1CA2CA4CA5A |
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-112501049-B | Lactobacillus kefir producing transglycosylation active beta-galactosidase and method for producing galactooligosaccharides by using prepared beta-galactosidase | 石河子大学 | 2022-04-19 | — | — | CN | disclosed |
| CN-112501049-A | Lactobacillus kefir producing transglycosylation active beta-galactosidase and method for producing galactooligosaccharides by using prepared beta-galactosidase | 石河子大学 | 2021-03-16 | — | — | CN | disclosed |