Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.50 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.50 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13937396 | 1.00 | TAAR1 (0.58) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| SCHEMBL13937401 | 0.98 | TAAR1 (0.56) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| SCHEMBL20990132 | 0.92 | MAOA (0.55) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| SCHEMBL1344100 | 0.88 | OPRK1 (0.65) | TAAR1OPRK1AOC3OPRM1OPRD1 | |
| SCHEMBL20957450 | 0.87 | MAOA (0.59) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| SCHEMBL19709910 | 0.87 | CHRM2 (0.62) | HTR2AAOC3MAOAOPRM1DRD3 | |
| SCHEMBL13937399 | 0.86 | KCNH2 (0.56) | — | |
| SCHEMBL31420655 | 0.86 | AOC3 (0.46) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| SCHEMBL12049808 | 0.85 | OPRK1 (0.63) | TAAR1OPRK1AOC3MAOAOPRM1 | |
| SCHEMBL21402006 | 0.83 | AOC3 (0.62) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101168601-B | Crosslinkers for improving stability of polyurethane foams | AIR PROD & CHEM | 2013-03-06 | — | — | CN | claimed |
| CN-106458897-A | Process for producing heterocyclic compound | 武田药品工业株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-101168601-B | Crosslinkers for improving stability of polyurethane foams | AIR PROD & CHEM | 2013-03-06 | — | — | CN | disclosed |
| US-5021187-A | In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1991-06-04 | — | — | US | disclosed |