Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL28820972 | 0.87 | MEN1 (0.40) | TAAR1PSIP1MEN1KMT2AALDH1A1 | |
| Isobutylbenzene SCHEMBL28023631 | 0.83 | HDAC1 (0.38) | TAAR1PSIP1MEN1KMT2AALDH1A1 | |
| Isobutylbenzene SCHEMBL28023640 | 0.80 | TAAR1 (0.39) | TAAR1MEN1KMT2AALDH1A1CYP1A2 | |
| Butylbenzyl SCHEMBL28023025 | 0.78 | CNR2 (0.44) | PSIP1MEN1KMT2AALDH1A1CYP1A2 | |
| Isobutylbenzene SCHEMBL28023629 | 0.78 | MMP1 (0.39) | TAAR1MEN1KMT2AALDH1A1CYP1A2 | |
| Isobutylbenzene SCHEMBL27746774 | 0.78 | TAAR1 (0.47) | TAAR1MEN1KMT2ACYP2C9SLC6A2 | |
| Isobutylbenzene SCHEMBL28023015 | 0.77 | MMP1 (0.41) | TAAR1MEN1KMT2AALDH1A1CYP1A2 | |
| Isobutylbenzene SCHEMBL27821325 | 0.76 | TAAR1 (0.52) | TAAR1MEN1KMT2ACYP2C9SLC6A2 | |
| SCHEMBL10180663 | 0.73 | TSHR (0.56) | ALDH1A1KDM4E | |
| SCHEMBL31135379 | 0.72 | HDAC1 (0.46) | PSIP1KMT2AALDH1A1CYP1A2CYP2C9 |
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-103509135-B | Olefin polymerization catalyst component, preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2015-07-22 | — | — | CN | disclosed |