Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.50 |
| ▸ | GSK3B | P49841 | 6/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.38 |
| ▸ | WNT3A | P56704 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297486 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2CTNNB1 | |
| SCHEMBL9639440 | 0.82 | CTNNB1 (0.41) | ALDH1A1TDP1TSHRCTNNB1WNT3A | |
| SCHEMBL30013031 | 0.81 | CTNNB1 (0.57) | PTPN1GSK3BCTNNB1WNT3AGAA | |
| SCHEMBL168979 | 0.81 | CTNNB1 (0.57) | PTPN1GSK3BCTNNB1WNT3AGAA | |
| SCHEMBL1505336 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCA2CTNNB1 | |
| SCHEMBL9409754 | 0.79 | PTPN1 (0.65) | PTPN1GSK3BHPGDSALDH1A1TDP1 | |
| SCHEMBL27100051 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCA2CTNNB1 | |
| SCHEMBL6737753 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCA2KDM4E | |
| SCHEMBL10960705 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCA2KDM4E | |
| SCHEMBL28292173 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCA2KDM4E |
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-3965181-A | Tricyclic pharmacological agents, intermediates and methods of making | SYNTEX (U.S.A.) INC. (US) | 1976-06-22 | — | — | US | disclosed |