Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9641099 | 0.85 | MAPK1 (0.40) | TSHRPARP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9640762 | 0.83 | ALDH1A1 (0.42) | ALDH1A1POLBGSK3BNPC1RAB9A | |
| SCHEMBL9640741 | 0.82 | HSD17B10 (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL31090841 | 0.81 | TSHR (0.67) | TSHRCYP3A4PARP1ALDH1A1NPC1 | |
| SCHEMBL771632 | 0.81 | TSHR (0.67) | TSHRCYP3A4PARP1ALDH1A1NPC1 | |
| SCHEMBL9640742 | 0.76 | ALDH1A1 (0.33) | TSHRCYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17064165 | 0.68 | ALDH1A1 (0.43) | TSHRCYP3A4ALDH1A1NPC1RAB9A | |
| SCHEMBL8054600 | 0.67 | TSHR (0.67) | TSHRCYP3A4PARP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11189916 | 0.67 | TSHR (0.72) | TSHRCYP3A4ALDH1A1MAOBNPC1 | |
| SCHEMBL5976 | 0.66 | TSHR (0.36) | TSHRCYP2C9ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5106407-A | Algicides, funcilides, bactericides | THE DOW CHEMICAL COMPANY (US) | 1992-04-21 | — | — | US | disclosed |