Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.55 |
| ▸ | CRHBP | P24387 | 2/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL27389059 | 0.90 | ALDH1A1 (0.68) | ALDH1A1TSHRTAAR1CRHBPCRHR2 | |
| Nitric Acid SCHEMBL9255679 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRTAAR1CRHBPCRHR2 | |
| Nitroethane SCHEMBL8668685 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRTAAR1CRHBPCRHR2 | |
| SCHEMBL15900 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTAAR1AOC3HRH3 | |
| SCHEMBL27766437 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTAAR1AOC3HRH3 | |
| SCHEMBL24735547 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTAAR1AOC3HRH3 | |
| SCHEMBL5014268 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTAAR1AOC3HRH3 | |
| Formaldehyde SCHEMBL2648136 | 0.82 | TSHR (0.85) | ALDH1A1TSHRTAAR1MEN1KMT2A | |
| Iodide SCHEMBL6672021 | 0.82 | TSHR (0.94) | ALDH1A1TSHRTAAR1AOC3HRH3 | |
| Bromide SCHEMBL414532 | 0.82 | TSHR (0.94) | ALDH1A1TSHRTAAR1AOC3HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5470896-A | Storage-stable solutions of accelerator systems | CIBA-GEIGY CORPORATION (US) | 1995-11-28 | — | — | US | disclosed |