Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28191816 | 0.90 | TDP1 (0.42) | TSHRTDP1TP53CYP3A4MAPT | |
| SCHEMBL22662565 | 0.86 | CA1 (0.42) | TSHRTDP1TP53CYP3A4MAPT | |
| SCHEMBL11399242 | 0.81 | NQO1 (0.48) | TSHRTDP1TP53CYP3A4NQO1 | |
| SCHEMBL28826529 | 0.79 | NQO1 (0.46) | TSHRTDP1TP53CYP3A4MAPT | |
| SCHEMBL26092548 | 0.78 | KDM4E (0.45) | TSHRTDP1CYP3A4MAPTGAA | |
| SCHEMBL9172376 | 0.77 | NQO1 (0.44) | TSHRTDP1TP53CYP3A4NQO1 | |
| SCHEMBL9172372 | 0.77 | NQO1 (0.44) | TSHRTDP1TP53CYP3A4MAPT | |
| SCHEMBL4906116 | 0.77 | MEN1 (0.59) | TSHRTDP1TP53CYP3A4MAPT | |
| SCHEMBL4889777 | 0.76 | NQO1 (0.42) | TSHRTDP1TP53CYP3A4NQO1 | |
| SCHEMBL666672 | 0.75 | ALDH1A1 (0.53) | TDP1CYP3A4MAPTGAAMEN1 |
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-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0723533-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |