Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28044304 | 0.85 | CYP2D6 (0.51) | MAPTTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL28044384 | 0.85 | NPC1 (0.39) | MAPTNPC1RAB9APOLBKDM4E | |
| SCHEMBL28044307 | 0.80 | TAS1R3 (0.39) | MAPTTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL10955059 | 0.77 | MAPT (0.54) | MAPTNPC1RAB9APOLBKDM4E | |
| SCHEMBL28044297 | 0.77 | TAS1R3 (0.59) | MAPTTAS1R3TAS1R1KDM4EHPGD | |
| SCHEMBL28044279 | 0.77 | THRA (0.46) | TAS1R3TAS1R1NPC1RAB9AKDM4E | |
| SCHEMBL2246104 | 0.75 | MAPT (0.51) | MAPTTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL13155417 | 0.72 | ALDH1A1 (0.54) | MAPTTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL5599845 | 0.72 | PIM1 (0.54) | MAPTNPC1RAB9APOLBKDM4E | |
| SCHEMBL11744545 | 0.70 | NPC1 (0.47) | MAPTTAS1R3TAS1R1NPC1RAB9A |
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-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |