Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.49 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 4/20 | 0.49 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.48 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.48 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31234028 | 0.83 | SMN1; SMN2 (0.67) | ALDH1A1HPGDTSHRSMN1; SMN2MAPT | |
| SCHEMBL5950094 | 0.83 | THRB (0.61) | ALDH1A1SMN1; SMN2LMNAPOLBHTR2C | |
| SCHEMBL13074405 | 0.77 | ALDH1A1 (0.69) | ALDH1A1HPGDTSHRSMN1; SMN2MAPT | |
| SCHEMBL5909217 | 0.77 | GAA (0.59) | ALDH1A1HPGDPOLBRORCKDM4E | |
| SCHEMBL22055729 | 0.77 | GAA (0.59) | ALDH1A1HPGDPOLBRORCKDM4E | |
| SCHEMBL25668727 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HPGDTSHRSMN1; SMN2MAPT | |
| SCHEMBL15529643 | 0.76 | TRPV1 (0.60) | ALDH1A1LMNAHTR2CNPC1RAB9A | |
| SCHEMBL28562068 | 0.75 | LMNA (0.53) | ALDH1A1TSHRLMNAPOLB | |
| SCHEMBL29648894 | 0.75 | LMNA (0.53) | ALDH1A1TSHRLMNAPOLB | |
| SCHEMBL13373529 | 0.75 | EPHX2 (0.50) | ALDH1A1HPGDTSHRSMN1; SMN2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929688-A | 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders | 阿莱瑞恩公司 | 2022-08-19 | — | — | CN | disclosed |
| EP-1350112-A2 | METHODS FOR THE TREATMENT OF IBS | Pharmagene Laboratories Ltd (GB) | 2003-10-08 | — | — | EP | disclosed |
| US-6444477-B1 | ASSAY TO DETERMINE WHETHER OR NOT A COMPOUND IS CAPABLE OF ANTAGONISING 5-HT.SUB.2B RECEPTOR ACTIVITY, WHICH ASSAY COMPRISES DETERMINING WHETHER OR NOT SAID COMPOUND IS CAPABLE OF ANTAGONISING SAID ACTIVITY IN THE HUMAN COLON. | PHARMAGENE LABORATORIES LIMITED (GB) | 2002-09-03 | — | — | US | disclosed |
| WO-2002056010-A2 | METHODS FOR THE TREATMENT OF IBS | PHARMAGENE LABORATORIES LTD (GB) | 2002-07-18 | — | — | WO | disclosed |