Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL3223041 | 0.92 | TP53 (0.58) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| SCHEMBL11594885 | 0.92 | TP53 (0.58) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| SCHEMBL40575 | 0.92 | — | — | |
| Benzene SCHEMBL28308118 | 0.92 | TP53 (0.58) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| Iodide SCHEMBL10910035 | 0.89 | TP53 (0.55) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5792976 | 0.89 | TP53 (0.55) | TAAR1ATMMEN1KMT2ASIGMAR1 | |
| SCHEMBL10686071 | 0.89 | TP53 (0.55) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL479482 | 0.89 | TP53 (0.55) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| SCHEMBL9420959 | 0.89 | TP53 (0.55) | TAAR1ATMSIGMAR1TP53ALDH1A1 | |
| Bromide SCHEMBL7216374 | 0.89 | TP53 (0.55) | TAAR1ATMSIGMAR1TP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103396320-A | (S)-3-chloro-N, N-dimethyl-1-phenyl-1-propylamine and method for preparing dapoxetine by using same as intermediate | NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | claimed |
| CN-111285850-B | Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2022-04-22 | — | — | CN | disclosed |
| EP-3896062-A1 | ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-10-20 | — | — | EP | disclosed |
| CN-111285850-A | Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2020-06-16 | — | — | CN | disclosed |
| CN-103396320-A | (S)-3-chloro-N, N-dimethyl-1-phenyl-1-propylamine and method for preparing dapoxetine by using same as intermediate | NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-103396320-A | (S)-3-chloro-N, N-dimethyl-1-phenyl-1-propylamine and method for preparing dapoxetine by using same as intermediate | NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-103396320-A | (S)-3-chloro-N, N-dimethyl-1-phenyl-1-propylamine and method for preparing dapoxetine by using same as intermediate | NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | disclosed |