Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111137 | 0.98 | NAAA (0.52) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL14763962 | 0.98 | NAAA (0.52) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL28322945 | 0.98 | NAAA (0.52) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL8045725 | 0.98 | NAAA (0.52) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL11389275 | 0.94 | ALDH1A1 (0.56) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL27813435 | 0.92 | ALDH1A1 (0.54) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL26923818 | 0.88 | NAAA (0.57) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL26923158 | 0.88 | NAAA (0.57) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL7278573 | 0.86 | NAAA (0.50) | TSHRNAAAALDH1A1EPHX1HCAR2 | |
| SCHEMBL10608611 | 0.85 | ALDH1A1 (0.38) | TSHRALDH1A1HCAR2ATMCA1 |
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-103965381-B | A kind of titanium tetrachloride initiator system altogether and the method being used for preparing high-activity polyisobutylene thereof | 北京化工大学 | 2016-08-24 | — | — | CN | disclosed |