Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2801753 | 0.70 | NR3C2 (0.41) | S1PR1GRK5CDK8S1PR5GUSB | |
| Hydrochloric Acid SCHEMBL28626980 | 0.67 | SIRT2 (0.44) | GAADAOSIRT2SIRT1KCNH2 | |
| SCHEMBL21381765 | 0.66 | MAOB (0.49) | S1PR1GRK5CDK8S1PR5FFAR1 | |
| SCHEMBL30323075 | 0.65 | GAA (0.56) | GAADAOTAAR1 | |
| SCHEMBL26778342 | 0.65 | GAA (0.56) | GAADAOTAAR1 | |
| SCHEMBL117230 | 0.64 | FFAR1 (0.73) | FFAR1HDAC1HDAC8PDPK1TAAR1 | |
| SCHEMBL31098655 | 0.63 | FFAR1 (0.55) | FFAR1HDAC1HDAC8PDPK1TAAR1 | |
| SCHEMBL28150824 | 0.63 | SRD5A2 (0.72) | FFAR1HDAC1HDAC8PDPK1TAAR1 | |
| SCHEMBL27708537 | 0.62 | TAAR1 (0.47) | GAADAOTAAR1 | |
| SCHEMBL13221512 | 0.62 | S1PR5 (0.77) | S1PR1GRK5CDK8S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847135-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-08 | — | — | US | disclosed |
| US-5716929-A | THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1998-02-10 | — | — | US | disclosed |