Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.71 |
| ▸ | ACE | P12821 | 1/20 | 0.61 |
| ▸ | KLK7 | P49862 | 1/20 | 0.61 |
| ▸ | CTSL | P07711 | 1/20 | 0.59 |
| ▸ | CTSS | P25774 | 1/20 | 0.59 |
| ▸ | CTSK | P43235 | 1/20 | 0.59 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.59 |
| ▸ | IL1RN | P18510 | 1/20 | 0.59 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.59 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL27951096 | 1.00 | TACR1 (0.71) | TACR1ACEKLK7CTSLCTSS | |
| SCHEMBL29397912 | 0.91 | TACR1 (0.82) | TACR1ACEKLK7CTSLCTSS | |
| SCHEMBL16464197 | 0.91 | TACR1 (0.82) | TACR1ACEKLK7CTSLCTSS | |
| SCHEMBL8697113 | 0.91 | TACR1 (0.82) | TACR1ACEKLK7CTSLCTSS | |
| SCHEMBL5355362 | 0.91 | TACR1 (0.82) | TACR1ACEKLK7CTSLCTSS | |
| SCHEMBL29419166 | 0.90 | TACR1 (0.65) | TACR1ACECTSLCTSSCTSK | |
| SCHEMBL31465284 | 0.89 | ACE (0.69) | TACR1ACECTSLCTSSCTSK | |
| SCHEMBL27902201 | 0.89 | ACE (0.69) | TACR1ACECTSLCTSSCTSK | |
| SCHEMBL27902203 | 0.89 | ACE (0.69) | TACR1ACECTSLCTSSCTSK | |
| SCHEMBL29194048 | 0.88 | MAPT (0.67) | TACR1ACEKLK7CTSLCTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102807601-B | Aminoacyl-tryptophanyl-5-methoxytryptamine and preparation method and application thereof | UNIV CAPITAL MEDICAL SCIENCES | 2014-02-26 | — | — | CN | disclosed |
| CN-102807601-A | Aminoacyl-tryptophanyl-5-methoxytryptamine and preparation method and application thereof | UNIV CAPITAL MEDICAL | 2012-12-05 | — | — | CN | disclosed |