Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.33 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4941438 | 0.92 | ALDH1A1 (0.40) | TSHRALDH1A1TDP1IDO1MAPK1 | |
| SCHEMBL14396518 | 0.81 | CYP2A6 (0.52) | ALDH1A1IDO1TP53HPGDHSD17B10 | |
| SCHEMBL7939411 | 0.81 | IDO1 (0.45) | ALDH1A1IDO1MAPK1HPGDHTT | |
| SCHEMBL28637924 | 0.81 | MAOB (0.52) | ALDH1A1IDO1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL4921123 | 0.81 | MAOA (0.52) | ALDH1A1IDO1MAPK1MAOBMAOA | |
| SCHEMBL28710323 | 0.81 | MAOA (0.52) | ALDH1A1IDO1TP53SMN1; SMN2MAOB | |
| SCHEMBL13001469 | 0.81 | ESR1 (0.44) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Benzyl Thiocyanate SCHEMBL27730692 | 0.80 | MAOB (0.48) | TSHRALDH1A1IDO1HPGDHSD17B10 | |
| Benzyl Thiocyanate SCHEMBL129196 | 0.80 | MAOB (0.48) | TSHRALDH1A1IDO1HPGDHSD17B10 | |
| Benzyl Thiocyanate SCHEMBL11858619 | 0.78 | MAOB (0.47) | TSHRALDH1A1IDO1HPGDHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0349195-B1 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC (US) | 1997-05-21 | — | — | EP | disclosed |
| US-5629394-A | ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED | EXXON CHEMICAL PATENTS INC (US) | 1997-05-13 | — | — | US | disclosed |
| US-5444135-A | Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously | EXXON CHEMICAL PATENTS INC. (US) | 1995-08-22 | — | — | US | disclosed |
| US-5336745-A | Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators | EXXON CHEMICAL PATENTS INC. (US) | 1994-08-09 | — | — | US | disclosed |
| US-5032653-A | Catalysts | EXXON CHEMICAL PATENTS, INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0349195-A2 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC. (US) | 1990-01-03 | — | — | EP | disclosed |