Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.48 |
| ▸ | ITGAV | P06756 | 3/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14300254 | 0.86 | ITGB3 (0.45) | ITGB3ITGAVITGB5ITGB1ITGA5 | |
| SCHEMBL8845546 | 0.84 | ITGB3 (0.48) | ITGB3ITGAVITGB5MTNR1AMTNR1B | |
| SCHEMBL8845779 | 0.83 | CDK4 (0.44) | ITGB3ITGAVITGB5HRH1CDK4 | |
| SCHEMBL14274529 | 0.83 | MCL1 (0.44) | ITGB3ITGAVITGB5NPC1RAB9A | |
| SCHEMBL9502777 | 0.79 | SLC6A2 (0.48) | HRH1HTR6HTR2CMTNR1AMTNR1B | |
| SCHEMBL8845730 | 0.79 | ITGB3 (0.47) | ITGB3ITGAVITGB5ITGB1ITGA5 | |
| SCHEMBL8845545 | 0.78 | ITGB3 (0.44) | ITGB3ITGAVITGB5ITGB1ITGA5 | |
| SCHEMBL18856948 | 0.76 | MTNR1A (0.58) | HTR2CMTNR1AMTNR1BKDM4ECDK4 | |
| SCHEMBL4394621 | 0.75 | MTNR1A (0.56) | HTR2CMTNR1AMTNR1BKDM4ECDK4 | |
| SCHEMBL5841872 | 0.75 | HTR2C (0.55) | HTR2CMTNR1AMTNR1BKDM4ECDK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5214058-A | Acetylcholinesterase inhibitors, treatment of senile dementia | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-05-25 | — | — | US | claimed |
| US-5214058-A | Acetylcholinesterase inhibitors, treatment of senile dementia | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-05-25 | — | — | US | disclosed |
| EP-0471296-A1 | 1-(Pyridinylalkyl)-1H-indoles, indolines and related analogs | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-02-19 | — | — | EP | disclosed |