Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7563374 | 0.95 | ALDH1A1 (0.71) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL1955909 | 0.91 | NLRP3 (0.80) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL28401182 | 0.88 | ALDH1A1 (0.72) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL7916743 | 0.87 | ALDH1A1 (0.81) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL7250114 | 0.87 | ALDH1A1 (0.66) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL3784358 | 0.85 | ALDH1A1 (0.73) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL3386794 | 0.84 | SMN1; SMN2 (0.65) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL7564388 | 0.83 | LMNA (0.60) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL69360 | 0.83 | NPC1 (0.71) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 | |
| SCHEMBL30593915 | 0.83 | NPC1 (0.71) | ALDH1A1HPGDNLRP3CYP1A2CYP2C9 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9000219-B2 | Method for treatment of isocyanate residue, and method for treatment of carbonate | MITSUI CHEMICALS, INC. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20120271067-A1 | METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE | MITSUI CHEMICALS, INC. | 2012-10-25 | — | — | US | disclosed |
| EP-0396977-B1 | Process for the preparation of polyisocyanates | BAYER AG (DE) | 1994-06-15 | — | — | EP | disclosed |
| EP-0520273-A2 | Process for the preparation of bis(ethoxycarbonylamino) toluols and their use in the preparation of diisocyanato toluols | BAYER AG (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-5043471-A | Process for the preparation of polyisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-27 | — | — | US | disclosed |
| EP-0396977-A2 | Process for the preparation of polyisocyanates | BAYER AG (DE) | 1990-11-14 | — | — | EP | disclosed |
| EP-0396976-A2 | Process for the preparation of polyisocyanates | BAYER AG (DE) | 1990-11-14 | — | — | EP | disclosed |
| US-4692550-A | Continuous process for thermal splitting of carbamic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1987-09-08 | — | — | US | disclosed |
| EP-0092738-B1 | PROCESS FOR THE CONTINUOUS THERMAL DECOMPOSITION OF CARBAMIC-ACID ESTERS | BAYER AG (DE) | 1985-07-24 | — | — | EP | disclosed |
| US-4487713-A | HEAT TREATMENT WITH TITANIUM, TIN, ANTIMONY OR ZIRCONIUM COMPOUND | EXXON RESEARCH & ENGINEERING CO. (US) | 1984-12-11 | — | — | US | disclosed |
| EP-0061013-B1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |
| EP-0092738-A1 | Process for the continuous thermal decomposition of carbamic-acid esters | BAYER AG (DE) | 1983-11-02 | — | — | EP | disclosed |
| US-4388246-A | THERMAL SPLITTING OF CARBAMATES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-06-14 | — | — | US | disclosed |
| EP-0061013-A1 | Process for the preparation of polyisocyanates | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |
| US-4081472-A | CATALYTIC, FROM A CARBAMATE | MITSUI TOATSU CHEMICALS INC. (JA) | 1978-03-28 | — | — | US | disclosed |
| US-3993685-A | Process for the production of urethanes | ATLANTIC RICHFIELD COMPANY (US) | 1976-11-23 | — | — | US | disclosed |
| US-3962302-A | Production of isocyanates from esters of carbamic acids (urethanes) | ATLANTIC RICHFIELD COMPANY (US) | 1976-06-08 | — | — | US | disclosed |