Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.50 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8975058 | 0.88 | PIN1 (0.48) | PIN1KCNQ2IDO1TSHRCRBN | |
| SCHEMBL28742465 | 0.86 | PIN1 (0.51) | PIN1KCNQ2IDO1TSHRCRBN | |
| SCHEMBL4720088 | 0.84 | PIN1 (0.52) | PIN1TSHRMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL9463775 | 0.83 | PIN1 (0.49) | PIN1KCNQ2IDO1ALDH1A1 | |
| SCHEMBL29498272 | 0.82 | PIN1 (0.57) | PIN1KCNQ2IDO1CRBNTAS1R3 | |
| SCHEMBL1153666 | 0.79 | PIN1 (0.60) | PIN1KCNQ2IDO1TAS1R3TAS1R1 | |
| SCHEMBL29609016 | 0.79 | PIN1 (0.60) | PIN1KCNQ2IDO1TAS1R3TAS1R1 | |
| SCHEMBL1898510 | 0.79 | PIN1 (0.54) | PIN1KCNQ2IDO1CRBNCHRM2 | |
| SCHEMBL9540395 | 0.79 | PIN1 (0.54) | PIN1KCNQ2IDO1CRBNMTNR1A | |
| SCHEMBL14143104 | 0.79 | PIN1 (0.60) | PIN1KCNQ2IDO1TAS1R3TAS1R1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | claimed |
| EP-0543919-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. | SEARLE & CO (US) | 1993-06-02 | — | — | EP | claimed |
| WO-1992003131-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES | G.D. SEARLE & CO. (US) | 1992-03-05 | — | — | WO | claimed |
| EP-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | disclosed |
| US-5462965-A | Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases | GD SEARLE & CO. (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0543919-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. | SEARLE & CO (US) | 1993-06-02 | — | — | EP | disclosed |
| WO-1992003131-A1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES | G.D. SEARLE & CO. (US) | 1992-03-05 | — | — | WO | disclosed |