Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28810745 | 0.95 | TSHR (0.55) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL137177 | 0.95 | — | — | |
| Benzene SCHEMBL11439058 | 0.95 | TSHR (0.67) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL27992094 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL27960469 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL27579085 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL10997806 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL932156 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL7268462 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA | |
| Benzene SCHEMBL28183512 | 0.90 | TSHR (0.60) | TSHRALDH1A1TP53FFAR3LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101397908-B | Method for simultaneous removing oil and salt in rock core | DAQING OILFIELD CO LTD | 2012-02-29 | — | — | CN | disclosed |
| CN-101397908-A | Method for simultaneous removing oil and salt in rock core | DAQING OIL FIELD CO LTD (CN) | 2009-04-01 | — | — | CN | disclosed |
| US-5575986-A | Chelating agent, complex compound of said chelating agent and metallic atom, and diagnostic agent comprising same | THE GREEN CROSS CORPORATION (JP) | 1996-11-19 | — | — | US | disclosed |