Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 3/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1454107 | 0.86 | PTGER1 (0.49) | PTGER1PTGER4PTGER3PTGER2HDAC3 | |
| SCHEMBL8573889 | 0.85 | TAAR1 (0.53) | MTNR1ATLR8MPOPTGER1PTGER4 | |
| SCHEMBL27528089 | 0.84 | MTNR1A (0.47) | MTNR1ATLR8MPOESR1ALDH1A1 | |
| SCHEMBL28216116 | 0.81 | TSHR (0.44) | PTGER1PTGER4PTGER3PTGER2HDAC3 | |
| SCHEMBL20854050 | 0.81 | CYSLTR2 (0.49) | PTGER1PTGER4PTGER3PTGER2MAPT | |
| SCHEMBL339508 | 0.79 | P2RX7 (0.44) | ESR1ESR2ALDH1A1MAPTHSD17B10 | |
| SCHEMBL22526169 | 0.79 | TLR8 (0.45) | MTNR1ATLR8MPOHDAC3HDAC4 | |
| SCHEMBL27673297 | 0.79 | F13A1 (0.51) | PTGER1PTGER4PTGER3PTGER2MAPT | |
| SCHEMBL8389559 | 0.79 | F13A1 (0.51) | PTGER1PTGER4PTGER3PTGER2MAPT | |
| SCHEMBL29765276 | 0.78 | ESR1 (0.43) | ESR1ESR2MAPTHSD17B10CYSLTR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029542-A2 | PRIMARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2009-03-04 | — | — | EP | claimed |
| WO-2007099509-A2 | PRIMARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-07 | — | — | WO | claimed |
| EP-2029542-A2 | PRIMARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007099509-A2 | PRIMARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-07 | — | — | WO | disclosed |