Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4671806 | 0.87 | ALDH1A1 (0.81) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Bicarbonate SCHEMBL14811027 | 0.87 | ALDH1A1 (0.81) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Trifluoroacetic Acid SCHEMBL27585620 | 0.86 | ALDH1A1 (0.65) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Oxalic Acid SCHEMBL11785204 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Acetic Acid SCHEMBL3621604 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Carbamic Acid SCHEMBL30426064 | 0.83 | ALDH1A1 (0.74) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Urea SCHEMBL28073648 | 0.83 | ALDH1A1 (0.74) | ALDH1A1TSHRRIPK1TAAR1NPC1 | |
| Chloromethane SCHEMBL28157121 | 0.83 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL2647148 | 0.83 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL24735547 | 0.82 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7001973-B2 | Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups | DEGUSSA AG (DE) | 2006-02-21 | — | — | US | disclosed |
| US-20030187178-A1 | Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups | DEGUSSA AG (DE) | 2003-10-02 | — | — | US | disclosed |
| US-6613863-B2 | Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts | DEGUSSA AG (DE) | 2003-09-02 | — | — | US | disclosed |
| US-20020120089-A1 | Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups | DEGUSSA AG (DE) | 2002-08-29 | — | — | US | disclosed |