Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1R1 | P14778 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL27935661 | 0.88 | IL1R1 (0.44) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL28306102 | 0.81 | GFER (0.51) | ALDH1A1MAPTHTTABCB1PTGS1 | |
| SCHEMBL27700740 | 0.81 | IL1R1 (0.43) | IL1R1ALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL27824373 | 0.79 | ALDH1A1 (0.49) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL335711 | 0.77 | GPR3 (0.52) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL5226018 | 0.76 | IL1R1 (0.68) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| Fumaric Acid SCHEMBL23608112 | 0.76 | EGFR (0.49) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL6178607 | 0.76 | ALDH1A1 (0.53) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL31109106 | 0.75 | ALDH1A1 (0.68) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL27168709 | 0.74 | IL1R1 (0.46) | IL1R1ALDH1A1SMN1; SMN2KDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829312-A | N-benzyl tryptanthrin derivative, and preparation method and application thereof | 复旦大学 | 2016-08-03 | — | — | CN | claimed |
| CN-103570727-B | A kind of N-benzyl couroupitine A derivative and its preparation method and application | FUDAN UNIVERSITY (CN) | 2015-08-19 | — | — | CN | claimed |
| CN-103570727-A | N-benzyl tryptanthrin derivative, as well as preparation method and use thereof | UNIV FUDAN | 2014-02-12 | — | — | CN | claimed |
| CN-105829312-B | A kind of N- benzyls tryptamines ketone derivatives and its preparation method and application | 复旦大学 | 2018-09-28 | — | — | CN | disclosed |
| CN-105829312-A | N-benzyl tryptanthrin derivative, and preparation method and application thereof | 复旦大学 | 2016-08-03 | — | — | CN | disclosed |
| CN-103570727-B | A kind of N-benzyl couroupitine A derivative and its preparation method and application | FUDAN UNIVERSITY (CN) | 2015-08-19 | — | — | CN | disclosed |
| CN-103570727-A | N-benzyl tryptanthrin derivative, as well as preparation method and use thereof | UNIV FUDAN | 2014-02-12 | — | — | CN | disclosed |
| CN-101177428-A | One-step method for synthesizing tryptamine ketone and derivative | UNIV NORTHWESTERN (CN) | 2008-05-14 | — | — | CN | disclosed |