Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ATP4A | P20648 | 2/20 | 0.34 |
| ▸ | ATP4B | P51164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9825362 | 0.78 | RXRA (0.36) | S1PR4S1PR5ALDH1A1KDM4ETDP1 | |
| SCHEMBL9879887 | 0.78 | SREBF2 (0.41) | S1PR4S1PR5RAB9AALDH1A1KDM4E | |
| SCHEMBL9825832 | 0.78 | RAB9A (0.41) | RAB9AALDH1A1KDM4ETDP1HSD17B10 | |
| SCHEMBL9825028 | 0.77 | XDH (0.38) | S1PR4S1PR5RAB9ACYP2A6MAPT | |
| SCHEMBL23555392 | 0.76 | CYP2A6 (0.42) | S1PR4S1PR5RAB9AALDH1A1KDM4E | |
| SCHEMBL23555711 | 0.75 | CYP2A6 (0.41) | S1PR4S1PR5RAB9AALDH1A1KDM4E | |
| SCHEMBL13863788 | 0.72 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL9825320 | 0.71 | SLC9A1 (0.38) | ACHEALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL12938612 | 0.70 | CYP2A6 (0.43) | S1PR4S1PR5CYP2A6 | |
| SCHEMBL19756685 | 0.69 | ATR (0.46) | ALDH1A1CYP2A6HSD17B10MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |