Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5360814 | 0.85 | TSHR (0.34) | TSHRNPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL11553962 | 0.72 | SMN1; SMN2 (0.43) | TSHRRAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL5353528 | 0.71 | MAPT (0.43) | TSHRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL5363475 | 0.71 | KDM4E (0.48) | NPSR1RAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL5357402 | 0.66 | P2RX7 (0.40) | TSHRNPSR1MAOARAB9AALDH1A1 | |
| SCHEMBL27815941 | 0.66 | PTGER1 (0.40) | TSHRNPSR1RAB9ANPC1ALDH1A1 | |
| SCHEMBL4369849 | 0.66 | ALDH1A1 (0.35) | TSHRNPSR1RAB9ANPC1ALDH1A1 | |
| SCHEMBL3147317 | 0.66 | GABRP (0.40) | ALDH1A1TDP1KDM4ELMNA | |
| SCHEMBL27865251 | 0.65 | AURKA (0.41) | TSHRNPSR1MAOARAB9AMEN1 | |
| SCHEMBL5366279 | 0.65 | KDM4E (0.34) | ALDH1A1TDP1KDM4EMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |