Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1040588 | 0.77 | NOS2 (0.50) | KDM4EHPGDSMN1; SMN2ALDH1A1CES2 | |
| SCHEMBL6008132 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL265881 | 0.76 | L3MBTL1 (0.56) | CYP1A2CYP2A6L3MBTL1KDM4EHPGD | |
| SCHEMBL1680341 | 0.75 | CYP2A6 (0.59) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL12630751 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| 2-Naphthylacetic Acid SCHEMBL23302248 | 0.73 | NR1H4 (0.65) | CYP1A2CYP2A6L3MBTL1MEN1KMT2A | |
| Acetic Acid SCHEMBL7666430 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP2A6L3MBTL1KDM4EHPGD | |
| SCHEMBL5236795 | 0.73 | CYP1A2 (0.68) | CYP1A2CYP2A6KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8851214 | 0.72 | CYP2A6 (0.61) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL8088882 | 0.71 | SLC6A2 (0.56) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143932-A | FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS | TREGA BIOSCIENCES, INC. (US) | 2000-11-07 | — | — | US | claimed |
| US-6121489-A | Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein | TREGA BIOSCIENCES, INC. (US) | 2000-09-19 | — | — | US | claimed |
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | claimed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | claimed |
| US-6143932-A | FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS | TREGA BIOSCIENCES, INC. (US) | 2000-11-07 | — | — | US | disclosed |
| US-6121489-A | Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein | TREGA BIOSCIENCES, INC. (US) | 2000-09-19 | — | — | US | disclosed |
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | disclosed |