Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25306059 | 0.95 | ALDH1A1 (0.49) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL997530 | 0.82 | TSHR (0.49) | ALDH1A1TP53NPC1RAB9AMEN1 | |
| SCHEMBL995324 | 0.78 | CYP3A4 (0.43) | ALDH1A1NPC1RAB9APAX8CYP1A2 | |
| SCHEMBL6780126 | 0.78 | NPC1 (0.57) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL27955327 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL9815790 | 0.77 | TSHR (0.39) | ALDH1A1NPC1RAB9AMEN1CYP3A4 | |
| SCHEMBL8831758 | 0.76 | ALDH1A1 (0.49) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL996368 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL27168432 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL27168431 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TP53NPC1RAB9APAX8 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200277254-A1 | MULTISTEP PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE, PENTAMETHYLENE DIISOCYANATE OR TOLUENE DIISOCYANATE | COVESTRO DEUTSCHLAND AG (DE) | 2020-09-03 | — | — | US | disclosed |
| EP-3687975-A1 | MULTISTEP PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE, PENTAMETHYLENE DIISOCYANATE OR TOLUENE DIISOCYANATE | Covestro Deutschland AG (DE) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019063296-A1 | MULTISTEP PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE, PENTAMETHYLENE DIISOCYANATE OR TOLUENE DIISOCYANATE | COVESTRO DEUTSCHLAND AG (DE) | 2019-04-04 | — | — | WO | disclosed |
| EP-3459930-A1 | MULTISTEP PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE, PENTAMETHYLENE DIISOCYANATE OR TOLUENE DIISOCYANATE | Covestro Deutschland AG (DE) | 2019-03-27 | — | — | EP | disclosed |
| US-8809574-B2 | Method for preparing isocyanates by liquid-phase thermal cracking | LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2014-08-19 | — | — | US | disclosed |
| US-20110021810-A1 | METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING | LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2011-01-27 | — | — | US | disclosed |
| EP-0078005-B1 | METHOD FOR THE PREPARATION OF ISOCYANATES BY PYROLYSIS OF URETHANES | BASF Aktiengesellschaft (DE) | 1985-08-07 | — | — | EP | disclosed |
| US-4482499-A | IN THE PRESENCE OF CARBON | BASF AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| EP-0078005-A1 | Method for the preparation of isocyanates by pyrolysis of urethanes | BASF Aktiengesellschaft (DE) | 1983-05-04 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110021810-A1 | METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING | DBI, CCNI, DGKI | ALDH1A1 1973/4885TP53 4417/4885NPC1 2493/4885 |
| US-20200277254-A1 | MULTISTEP PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE, PENTAMETHYLENE DIISOCYANATE OR TOLUENE DIISOCYANATE | UROD, HDHD5, HAAO | ALDH1A1 391/4885TP53 1908/4885NPC1 4590/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.