Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5232925 | 0.89 | TSHR (0.45) | ALDH1A1NPSR1GABRA1GABRG2GABRB3 | |
| SCHEMBL5238223 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRDPP4HPGDPOLB | |
| SCHEMBL5236956 | 0.83 | DPP4 (0.47) | ALDH1A1TSHRDPP4POLBKDM4E | |
| SCHEMBL5237691 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRDPP4HPGDPOLB | |
| Hydrochloric Acid SCHEMBL5234967 | 0.82 | DPP4 (0.47) | ALDH1A1TSHRDPP4POLBHSD17B10 | |
| SCHEMBL5236649 | 0.81 | MEN1 (0.40) | TSHRPTK2BRAB9ADPP4PDE10A | |
| SCHEMBL5233781 | 0.80 | HPGD (0.39) | ALDH1A1NPSR1TSHRPTK2BRAB9A | |
| SCHEMBL5238745 | 0.80 | RORA (0.40) | ALDH1A1NPSR1TSHRPTK2BRAB9A | |
| SCHEMBL5236732 | 0.80 | KDM4E (0.42) | TSHRPTK2BRAB9APDE10ACASP3 | |
| SCHEMBL5237827 | 0.79 | TSHR (0.42) | ALDH1A1NPSR1TSHRPTK2BRAB9A |
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-1355886-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2007-07-11 | — | — | EP | disclosed |
| US-7034039-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-04-25 | — | — | US | disclosed |