Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982298 | 0.73 | KDM4E (0.42) | XDHSLC22A12KDM4ENPC1RAB9A | |
| SCHEMBL262049 | 0.73 | ALDH1A1 (0.44) | XDHSLC22A12KDM4ENPC1RAB9A | |
| Benzene SCHEMBL27265959 | 0.70 | TSHR (0.61) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| SCHEMBL27703149 | 0.70 | TSHR (0.61) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| SCHEMBL756585 | 0.70 | TSHR (0.61) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| SCHEMBL27786189 | 0.69 | ACMSD (0.53) | KDM4ENPC1RAB9ATSHRTDP1 | |
| SCHEMBL10768142 | 0.68 | TSHR (0.59) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| Fluoride SCHEMBL27323288 | 0.68 | TSHR (0.59) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| Water SCHEMBL27479836 | 0.68 | TSHR (0.59) | KDM4ENPC1RAB9ATSHRL3MBTL1 | |
| Ethane SCHEMBL27288094 | 0.68 | TSHR (0.59) | KDM4ENPC1RAB9ATSHRL3MBTL1 |
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-103880827-B | The application of the reuptake of aryl and the substituted tetrahydroisoquinoline of heteroaryl and blocking-up norepinephrine, dopamine and serotonin | 阿尔巴尼分子研究公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-103880827-A | Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RES INC | 2014-06-25 | — | — | CN | disclosed |