Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.64 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9644843 | 0.89 | GSK3B (0.76) | GSK3BPDPK1LMNAESR1ESR2 | |
| SCHEMBL27898502 | 0.83 | CA1 (0.54) | GSK3BPDPK1LMNAESR1ESR2 | |
| SCHEMBL2818719 | 0.81 | CA1 (0.50) | GSK3BPDPK1LMNAESR1ESR2 | |
| SCHEMBL11538990 | 0.81 | PDPK1 (0.50) | GSK3BPDPK1LMNAESR1ESR2 | |
| SCHEMBL2096724 | 0.80 | GSK3B (0.64) | GSK3BLMNAMAPTHPGDCA1 | |
| SCHEMBL2962521 | 0.80 | GSK3B (0.64) | GSK3BCA1CA2CA12CA7 | |
| SCHEMBL6789159 | 0.78 | GSK3B (1.00) | GSK3BPDPK1CA1CA2PTPN1 | |
| SCHEMBL3364624 | 0.78 | GSK3B (0.61) | GSK3BLMNACA1CA2PTPN1 | |
| SCHEMBL5696515 | 0.78 | GSK3B (0.61) | GSK3BLMNAPKMHPGDHTT | |
| SCHEMBL3424507 | 0.78 | GSK3B (0.61) | GSK3BLMNAMAPTCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0612318-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993009102-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1993-05-13 | — | — | WO | disclosed |
| EP-0363688-A1 | Novel phosphoric acid derivatives and a method for determination of acid phosphatase activity using the same | NITTO BOSEKI CO., LTD. (JP) | 1990-04-18 | — | — | EP | disclosed |