Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 7/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 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 | |
|---|---|---|---|---|
| SCHEMBL28044297 | 0.83 | TAS1R3 (0.59) | TAS1R3TAS1R1MAPTCASP3SENP7 | |
| SCHEMBL28044304 | 0.83 | CYP2D6 (0.51) | TAS1R3TAS1R1RAB9AMAPTCASP3 | |
| SCHEMBL28044305 | 0.80 | MAPT (0.45) | TAS1R3TAS1R1RAB9AKMT2AMEN1 | |
| SCHEMBL28044384 | 0.78 | NPC1 (0.39) | RAB9AKMT2AMEN1MAPTCASP3 | |
| SCHEMBL28044279 | 0.78 | THRA (0.46) | TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4766674 | 0.73 | PIM1 (0.55) | RAB9AKMT2AMEN1NAMPTMCL1 | |
| SCHEMBL16492619 | 0.73 | LMNA (0.57) | RAB9AKMT2AMEN1NAMPTMCL1 | |
| SCHEMBL4768249 | 0.73 | AKR1B1 (0.48) | MAPTAKR1B1ALDH1A1 | |
| SCHEMBL17321457 | 0.67 | TAS1R3 (0.38) | TAS1R3TAS1R1RAB9AKMT2AMEN1 | |
| SCHEMBL1609206 | 0.66 | ALDH1A1 (0.50) | KMT2AMEN1MCL1MAPTTDP1 |
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 |