Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.63 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.63 |
| ▸ | BCR | P11274 | 2/20 | 0.63 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30996183 | 1.00 | ABL1 (0.63) | ABL1ABCB1BCRRELAKMT2A | |
| SCHEMBL792094 | 0.86 | CYP1A1 (0.57) | ABL1ABCB1BCRRELAHDAC4 | |
| SCHEMBL1180429 | 0.85 | ABL1 (0.83) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL16394285 | 0.82 | TAAR1 (0.71) | TAAR1ALOX5CYP1A2ESR2BACE1 | |
| SCHEMBL31491189 | 0.82 | TAAR1 (0.71) | TAAR1ALOX5CYP1A2ESR2BACE1 | |
| SCHEMBL792197 | 0.81 | ABL1 (0.77) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL27649742 | 0.81 | ABL1 (0.77) | ABL1ABCB1BCRKMT2AHDAC4 | |
| SCHEMBL1180412 | 0.81 | ABL1 (0.77) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL20669453 | 0.80 | TAAR1 (0.68) | KMT2ATAAR1ALOX5CYP1A2ESR2 | |
| SCHEMBL6314185 | 0.80 | KMT2A (0.46) | ABL1ABCB1BCRRELAKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3674303-B1 | NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | GWANGJU INST SCIENCE & TECH (KR) | 2022-07-20 | — | — | EP | claimed |
| CN-104892539-B | Novel synthesis method of iron-catalyzed 2-aryl benzoxazole compound | 苏州大学 | 2017-12-22 | — | — | CN | disclosed |
| US-20100144516-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) | 2010-06-10 | — | — | US | disclosed |
| US-20100144516-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) | 2010-06-10 | — | — | US | disclosed |
| WO-2008087057-A1 | PREPARATION AND USE OF MAGNESIUM AMIDES | LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) | 2008-07-24 | — | — | WO | disclosed |
| US-5977105-A | Compounds | ASTRA PHARMAEUTICALS LTD. (GB) | 1999-11-02 | — | — | US | disclosed |
| EP-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |