Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28212290 | 0.75 | TAAR1 (0.52) | CYP3A4CYP1A2CYP2C19CYP2D6PRMT1 | |
| SCHEMBL630686 | 0.69 | POLB (0.42) | CYP3A4CYP1A2RECQLMAPTKMT2A | |
| SCHEMBL630364 | 0.69 | RIPK1 (0.40) | CYP3A4CYP1A2RECQLMAPK1MAPT | |
| SCHEMBL27651443 | 0.68 | MAOB (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL315315 | 0.67 | MAOB (0.52) | CYP3A4CYP1A2ALDH1A1CYP2D6PRMT1 | |
| SCHEMBL6803588 | 0.67 | HDAC3 (0.50) | MAPK1MAPTKMT2AALDH1A1RIPK1 | |
| SCHEMBL1059557 | 0.67 | SLC6A2 (0.52) | CYP3A4CYP1A2RECQLMAPK1MAPT | |
| SCHEMBL8759 | 0.66 | SLC6A2 (0.56) | CYP3A4CYP1A2RECQLMAPK1MAPT | |
| Hydrochloric Acid SCHEMBL27354720 | 0.66 | SMN1; SMN2 (0.50) | CYP3A4CYP1A2RECQLMAPK1MAPT | |
| SCHEMBL5892305 | 0.65 | MAOB (0.44) | CYP1A2MAPK1KMT2ACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101355876-B | Composition suitable for ophthalmic administration | COMBINATORX INC | 2012-09-05 | — | — | CN | disclosed |
| CN-101355876-A | Methods, compositions and kits for treating medical conditions | COMBINATORX INC (US) | 2009-01-28 | — | — | CN | disclosed |