Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HPD | P32754 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098948 | 0.81 | DTYMK (0.46) | TSHRVCAM1 | |
| SCHEMBL194902 | 0.79 | TDP1 (0.50) | LMNAGAAVCAM1ALDH1A1MAPT | |
| SCHEMBL7744981 | 0.76 | CA12 (0.46) | TSHRLMNASLC6A4VCAM1NPC1 | |
| SCHEMBL29368097 | 0.76 | HMGCR (0.50) | TSHRLMNARAB9AALDH1A1MAPT | |
| SCHEMBL28816712 | 0.76 | PDK1 (0.42) | LMNAALDH1A1HPGDHPDSMN1; SMN2 | |
| SCHEMBL22622554 | 0.76 | HMGCR (0.50) | TSHRLMNARAB9AALDH1A1MAPT | |
| SCHEMBL27248719 | 0.75 | ALDH1A1 (0.50) | LMNANPC1RAB9AALDH1A1MAPT | |
| SCHEMBL13758817 | 0.75 | TSHR (0.47) | TSHRLMNAALDH1A1MAPTHPGD | |
| SCHEMBL28076474 | 0.75 | TSHR (0.47) | TSHRLMNAALDH1A1MAPTHPGD | |
| SCHEMBL2079317 | 0.75 | ALDH1A1 (0.54) | TSHRGAAALDH1A1MAPTHPGD |
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-106518636-A | Method for preparing 4-chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate and free alkalis thereof | 浙江天宇药业股份有限公司 | 2017-03-22 | — | — | CN | disclosed |