Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.47 |
| ▸ | TUBB | P07437 | 2/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL910637 | 0.80 | HTR2A (0.58) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL3955213 | 0.79 | PTGS2 (0.57) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL1020821 | 0.79 | PTGS2 (0.57) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL911100 | 0.78 | CA2 (0.61) | CYP19A1AOC3CA9CYP3A4CA12 | |
| SCHEMBL8394 | 0.76 | PTGS2 (0.53) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL3949176 | 0.76 | PTGS2 (0.59) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7666891 | 0.76 | PTGS2 (0.48) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL1587546 | 0.76 | PTGS2 (0.64) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL4464142 | 0.75 | HTR2A (0.75) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL8910416 | 0.75 | PTGS2 (0.70) | PTGS2HTR2AHTR2CHTR2BTUBB1 |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| US-6388081-B1 | 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | LION BIOSCIENCE AG (DE) | 2002-05-14 | — | — | US | claimed |
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| US-6262269-B1 | 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | TREGA BIOSCIENCES, INC. | 2001-07-17 | — | — | US | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | claimed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | claimed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| US-4096331-A | HYPOTENSIVE | A. H. ROBINS COMPANY, INCORPORATED (US) | 1978-06-20 | — | — | US | claimed |
| CN-109912556-B | Benzopyrone skeleton derivative and preparation method and application thereof | 复旦大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-108299458-B | Oridonin derivative and preparation method and application thereof | 青岛海洋生物医药研究院股份有限公司 | 2020-10-02 | — | — | CN | disclosed |
| CN-102319184-B | Parakeratosis inhibitor, pore-shrinking agent and external composition for skin | SHISEIDO CO LTD | 2015-03-25 | — | — | CN | disclosed |
| US-8937090-B2 | Parakeratosis inhibitor, pore-shrinking agent and external composition for skin | SHISEIDO COMPANY, LTD. (JP) | 2015-01-20 | — | — | US | disclosed |
| US-4139620-A | HYPOTENSIVE AGENTS | A. H. ROBINS COMPANY, INC. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4096331-A | HYPOTENSIVE | A. H. ROBINS COMPANY, INCORPORATED (US) | 1978-06-20 | — | — | US | disclosed |
| US-4042472-A | Electrolytic process for 7-methoxy-3-exomethylenecepham compounds | ELI LILLY AND COMPANY (US) | 1977-08-16 | — | — | US | disclosed |
| US-4005090-A | 8-(β-AMINOETHYL)ERGOLINES-I | SPOFA UNITED PHARMACEUTICAL WORKS (CS) | 1977-01-25 | — | — | US | disclosed |