Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KLK3 | P07288 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | F12 | P00748 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4320783 | 0.73 | KMT2A (0.49) | NPC1RAB9AKLK3HSD17B10MAPK1 | |
| SCHEMBL4989398 | 0.68 | MAPK1 (0.58) | NPC1RAB9AHSD17B10MAPK1KMT2A | |
| SCHEMBL12882199 | 0.68 | HSD17B10 (0.46) | NPC1RAB9AKLK3HSD17B10MAPK1 | |
| SCHEMBL335681 | 0.64 | MAPK1 (0.77) | MAPK1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL29415167 | 0.64 | MAPK1 (0.77) | MAPK1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL11237461 | 0.63 | KMT2A (0.55) | RAB9AMAPK1KMT2AKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL5154533 | 0.63 | MAPK1 (0.74) | MAPK1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL1493250 | 0.62 | CYP1A2 (1.00) | MAPTPOLBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3758910 | 0.62 | TSHR (0.76) | RAB9AHSD17B10MAPK1KMT2AMAPT | |
| SCHEMBL29618985 | 0.62 | TSHR (0.76) | RAB9AHSD17B10MAPK1KMT2AMAPT |
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-1993362-B | Fused Heterocyclic Compounds | TAKEDA PHARMACEUTICAL | 2010-12-15 | — | — | CN | disclosed |
| CN-1993362-A | Fused Heterocyclic Compounds | TAKEDA PHARMACEUTICAL (JP) | 2007-07-04 | — | — | CN | disclosed |