Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL27535943 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Piperidine SCHEMBL8000110 | 0.97 | ALDH1A1 (0.45) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Piperidine SCHEMBL2420379 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL812392 | 0.95 | TSHR (0.53) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL28057559 | 0.92 | TSHR (0.50) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL21497058 | 0.89 | TSHR (0.60) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL8406615 | 0.86 | CXCR4 (0.50) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL5210014 | 0.86 | CXCR4 (0.50) | ALDH1A1TSHRNAPRTTDP1CHRNB2 | |
| Pyridine SCHEMBL11825162 | 0.86 | — | — | |
| Piperidine SCHEMBL28471842 | 0.84 | ALDH1A1 (0.38) | ALDH1A1TSHRNAPRTTDP1CHRNB2 |
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-110403939-A | For treating the tricyclic nitrogenous compound of N. gonorrhoeae infections | GLAXOSMITHKLINE INTELECTUAL PROPERTY DEV LTD | 2019-11-05 | — | — | CN | disclosed |
| CN-106659717-B | Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-105209443-B | Indoleamine 2, 3-dioxygenase (IDO) inhibitors | 百时美施贵宝公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-107027306-A | 1 (ring penta 2 base of alkene 1) 3 (2 hydroxyl 3 (aryl sulfonyl) phenyl) urea derivatives are used as CXCR2 inhibitor | 葛兰素史密斯克莱知识产权发展有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-106659717-A | Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections | 葛兰素史密斯克莱知识产权发展有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-105517993-A | Aryl amide kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2016-04-20 | — | — | CN | disclosed |
| CN-105492444-A | Tricyclic pyridine-carboxamide derivatives as ROCK inhibitors | BRISTOL MYERS SQUIBB CO | 2016-04-13 | — | — | CN | disclosed |
| CN-105209443-A | Indoleamine 2, 3-dioxygenase (IDO) inhibitors | BRISTOL MYERS SQUIBB CO | 2015-12-30 | — | — | CN | disclosed |