Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Iodobenzene. 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 | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL27878636 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL28221906 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL27618758 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL20943249 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL1286626 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL29444116 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL318185 | 0.85 | TPMT (0.48) | TPMTALDH1A1CES2CES1TSHR | |
| Iodobenzene SCHEMBL1587 | 0.83 | — | — | |
| Iodobenzene SCHEMBL3628957 | 0.83 | — | — | |
| Iodobenzene SCHEMBL1331855 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110484531-A | A kind of screening technique of oil-rich microalgae | UNIV ZHEJIANG OCEAN | 2019-11-22 | — | — | CN | claimed |
| CN-110484531-A | A kind of screening technique of oil-rich microalgae | UNIV ZHEJIANG OCEAN | 2019-11-22 | — | — | CN | disclosed |
| CN-100582103-C | 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching | KYORIN SEIYAKU KK | 2010-01-20 | — | — | CN | disclosed |
| CN-101627016-A | Compound (I) | SYNGENTA PARTICIPATIONS AG | 2010-01-13 | — | — | CN | disclosed |
| CN-1784398-A | 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching | KYORIN SEIYAKU KK (JP) | 2006-06-07 | — | — | CN | disclosed |