Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL11340898 | 0.80 | ALDH1A1 (0.36) | ALDH1A1RECQL | |
| SCHEMBL11520518 | 0.78 | TSHR (0.40) | TSHRALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL3149801 | 0.74 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL2494529 | 0.73 | ALDH1A1 (0.43) | TSHRALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL2491938 | 0.68 | KIF11 (0.46) | TSHRALDH1A1TDP1IDO1RECQL | |
| Di(Hydroxyethyl)Ether SCHEMBL9694545 | 0.67 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1IDO1RECQL | |
| SCHEMBL5788044 | 0.65 | HSPA5 (0.41) | TSHRGABRA1GABRB2IDO1 | |
| Water SCHEMBL11565323 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL11581609 | 0.64 | — | — | |
| SCHEMBL2492368 | 0.64 | ALDH1A1 (0.41) | TSHRALDH1A1TDP1IDO1RECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4148989-A | TITANIUM CHELATE COMPOUNDS | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-04-10 | — | — | US | claimed |
| US-4140728-A | POLYEPOXIDE COMPOUND AND TITANIUM OR ZIRCONIUM CHELATE CATALYST | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | claimed |
| US-4148989-A | TITANIUM CHELATE COMPOUNDS | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-04-10 | — | — | US | disclosed |
| US-4140728-A | POLYEPOXIDE COMPOUND AND TITANIUM OR ZIRCONIUM CHELATE CATALYST | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | disclosed |