Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | CTSL | P07711 | 4/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL7531427 | 0.77 | CTSK (0.50) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL8767085 | 0.77 | MAOA (0.47) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL4580949 | 0.76 | CTSK (0.49) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL4580413 | 0.76 | CTSK (0.49) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL21061401 | 0.76 | CTSK (0.50) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL6632034 | 0.76 | CTSK (0.49) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL20959847 | 0.75 | CTSK (0.52) | CTSKCTSLCTSBALDH1A1AKR1C1 | |
| SCHEMBL11823681 | 0.75 | MAOA (0.48) | CTSKCTSLCTSBADRB2ALDH1A1 | |
| SCHEMBL28033357 | 0.75 | AKR1C1 (0.47) | HTTAKR1C1HDAC4ALOX15HSD11B1 | |
| SCHEMBL18727495 | 0.74 | MAOA (0.44) | CTSKCTSLCTSBADRB2ALDH1A1 |
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-112638870-A | Process for the preparation of methyl 6- (2, 4-dichlorophenyl) -5- [4- [ (3S) -1- (3-fluoropropyl) pyrrolidin-3-yl ] oxyphenyl ] -8, 9-dihydro-7H-benzo [7] annulene-2-carboxylate | 赛诺菲 | 2021-04-09 | — | — | CN | disclosed |
| CN-112638869-A | Salt of methyl 6- (2, 4-dichlorophenyl) -5- [4- [ (3S) -1- (3-fluoropropyl) pyrrolidin-3-yl ] oxyphenyl ] -8, 9-dihydro-7H-benzo [7] annulene-2-carboxylate and process for preparing same | 赛诺菲 | 2021-04-09 | — | — | CN | disclosed |