Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 9/20 | 0.48 |
| ▸ | CA2 | P00918 | 9/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ATIC | P31939 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5284994 | 0.85 | TTR (0.60) | TTRCDK2CYP1A2AURKAAURKB | |
| SCHEMBL9468252 | 0.80 | TTR (0.48) | TTRCYP1A2AURKAAURKBTSHR | |
| SCHEMBL28787703 | 0.78 | CDK2 (0.62) | TTRCA1CA2CA9CA12 | |
| SCHEMBL15151195 | 0.78 | TTR (0.50) | TTRCYP1A2AURKAAURKBTSHR | |
| SCHEMBL9468242 | 0.77 | TTR (0.48) | TTRCYP1A2AURKAAURKBTSHR | |
| Hydrochloric Acid SCHEMBL27788430 | 0.77 | CDK2 (0.60) | TTRCA1CA2CA9CA12 | |
| SCHEMBL15851423 | 0.76 | CDK2 (0.70) | TTRCA1CA2CA9CA12 | |
| SCHEMBL8028660 | 0.76 | TTR (0.72) | TTRCA1CA2CA9CDK2 | |
| SCHEMBL1502472 | 0.76 | TTR (0.72) | TTRCA1CA2CA9CDK2 | |
| SCHEMBL305631 | 0.76 | TTR (0.72) | TTRCA1CA2CA9CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1455777-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 2004-09-15 | — | — | EP | claimed |
| WO-2003055478-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-07-10 | — | — | WO | claimed |
| EP-1455777-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003055478-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-07-10 | — | — | WO | disclosed |