Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9995987 | 0.87 | TSHR (0.47) | TSHRKDM1ANPC1RAB9ACASP3 | |
| SCHEMBL19207342 | 0.85 | ALDH1A1 (0.46) | TSHRKDM4EALDH1A1MAPK1 | |
| Carbamic Acid SCHEMBL6649969 | 0.73 | HSD17B10 (0.34) | TSHRNPC1RAB9APARP1KDM4E | |
| SCHEMBL3712693 | 0.72 | TDP1 (0.46) | TSHRRAB9AKDM4EALDH1A1MAPK1 | |
| SCHEMBL6649924 | 0.72 | TSHR (0.49) | TSHRKDM1ANPC1RAB9ACASP3 | |
| SCHEMBL10509462 | 0.71 | NPC1 (0.46) | NPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL10700892 | 0.71 | TDP1 (0.45) | TSHRRAB9AKDM4EALDH1A1MAPK1 | |
| SCHEMBL4320180 | 0.69 | TSHR (0.68) | TSHRKDM1ANPC1RAB9ACASP3 | |
| SCHEMBL30344379 | 0.69 | TSHR (0.68) | TSHRKDM1ANPC1RAB9ACASP3 | |
| SCHEMBL5125994 | 0.68 | CA12 (0.41) | TSHRRAB9AALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740584-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105802-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |