Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8664655 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL8666664 | 0.88 | CYP1A2 (0.33) | CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL1666989 | 0.81 | IDO1 (0.40) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL2182651 | 0.79 | IDO1 (0.38) | ALDH1A1LMNAL3MBTL1UTS2RKDM4E | |
| SCHEMBL2328585 | 0.76 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL20855241 | 0.75 | ALDH1A1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL4760595 | 0.75 | HDAC3 (0.31) | — | |
| SCHEMBL1355267 | 0.75 | KDM4E (0.42) | CYP2C19ALDH1A1LMNARAB9AL3MBTL1 | |
| SCHEMBL4951709 | 0.75 | CA12 (0.40) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8665857 | 0.75 | — | — |
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-5750552-A | ANTIULCER AGENTS | ARAX CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0736527-A1 | Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer | ARAX CO., LTD. (JP) | 1996-10-09 | — | — | EP | disclosed |