Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219352 | 0.90 | SIGMAR1 (0.50) | SLC6A4SIGMAR1TAAR1SLC18A2SLC6A2 | |
| SCHEMBL4883252 | 0.81 | SLC6A4 (0.51) | SLC6A4SIGMAR1TAAR1SLC18A2CYP2D6 | |
| SCHEMBL20061148 | 0.76 | SIGMAR1 (0.56) | SLC6A4SIGMAR1TAAR1SLC18A2SLC6A2 | |
| SCHEMBL4153139 | 0.76 | GAA (0.71) | SLC6A4SIGMAR1GBA1SLC6A2SOS1 | |
| SCHEMBL20061130 | 0.76 | SIGMAR1 (0.56) | SLC6A4SIGMAR1TAAR1SLC18A2SLC6A2 | |
| SCHEMBL22850604 | 0.76 | GBA1 (0.50) | SLC6A4SIGMAR1TAAR1GBA1SLC6A2 | |
| SCHEMBL27589444 | 0.75 | SLC6A4 (0.49) | SLC6A4SIGMAR1TAAR1SLC18A2NPC1 | |
| SCHEMBL27589646 | 0.75 | SLC6A4 (0.49) | SLC6A4SIGMAR1TAAR1SLC18A2NPC1 | |
| SCHEMBL6482992 | 0.75 | SLC6A4 (0.49) | SLC6A4SIGMAR1TAAR1SLC18A2NPC1 | |
| SCHEMBL6494537 | 0.75 | SLC6A4 (0.49) | SLC6A4SIGMAR1TAAR1SLC18A2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108093636-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107743481-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107743490-A | For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-101412692-B | 1-(3-amino propyl) piperidine-4-aminoamide compounds, and pharmaceutical composition, preparation and use thereof | SHANGHAI INST MATERIA MEDICA | 2012-10-17 | — | — | CN | disclosed |
| CN-101412692-A | 1-(3-amino propyl) piperidine-4-aminoamide compounds, and pharmaceutical composition, preparation and use thereof | SHANGHAI INST MATERIA MEDICA (CN) | 2009-04-22 | — | — | CN | disclosed |