Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.82 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1050014 | 0.98 | TDP1 (0.78) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL2285048 | 0.98 | TDP1 (0.78) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL7296555 | 0.95 | — | — | |
| SCHEMBL2000699 | 0.90 | — | — | |
| SCHEMBL18380898 | 0.86 | TDP1 (0.68) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL13999422 | 0.82 | TDP1 (0.83) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL4697448 | 0.82 | TDP1 (0.83) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL18028783 | 0.80 | TDP1 (0.72) | TDP1EPHX1CYP2D6CA2CA12 | |
| SCHEMBL7350548 | 0.80 | TDP1 (0.72) | TDP1EPHX1CYP2D6TSHR | |
| SCHEMBL7022372 | 0.80 | EPHX1 (0.69) | TDP1EPHX1CYP2D6CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008059128-A1 | PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS | IPSEN PHARMA S.A.S. (FR) | 2008-05-22 | — | — | WO | disclosed |
| EP-0389282-B1 | Xanthinederivatives, process for their preparation and their pharmaceutical use | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 2002-02-20 | — | — | EP | disclosed |
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| CN-1031641-C | Process for preparing 8-substituted xanthine | BEECHAM WUELFING GMBH & CO KG (DE) | 1996-04-24 | — | — | CN | disclosed |
| CN-1047502-A | The preparation method of 8-substituted xanthine | BEECHAM WUELFING GMBH & CO KG (DE) | 1990-12-05 | — | — | CN | disclosed |
| US-3984416-A | Substituted quinoline-8-carboxamido ethyl benzene-sulfonyl N-cyclopentylmethyl urea | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | disclosed |