Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28671879 | 0.77 | ESR1 (0.41) | ESR1CHRM3TSHRCNR1CNR2 | |
| SCHEMBL9906158 | 0.77 | ESR1 (0.41) | ESR1CHRM3TSHRCNR1CNR2 | |
| SCHEMBL28671877 | 0.77 | ESR1 (0.41) | ESR1CHRM3TSHRCNR1CNR2 | |
| SCHEMBL1613047 | 0.76 | CNR1 (0.36) | ESR1CHRM3TSHRCNR1CNR2 | |
| SCHEMBL6873939 | 0.75 | CHRM3 (0.37) | ESR1CHRM3CNR1CNR2ALDH1A1 | |
| SCHEMBL3225215 | 0.73 | ESR1 (0.39) | MAOBESR1CHRM3TSHRCNR1 | |
| SCHEMBL1200753 | 0.73 | CYP2C19 (0.44) | CHRM3TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12006685 | 0.72 | CNR1 (0.41) | ESR1CHRM3TSHRCNR1CNR2 | |
| SCHEMBL5164470 | 0.72 | — | — | |
| SCHEMBL14777822 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523495-A | REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0404077-B1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5258529-A | Dehydrohalogenation of corresponding alkene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-02 | — | — | US | disclosed |