Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 2/20 | 0.34 |
| ▸ | FPR2 | P25090 | 2/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981987 | 0.92 | PTGER4 (0.38) | PTGER4AVPR2AVPR1AFPR1FPR2 | |
| SCHEMBL7409214 | 0.85 | PTGER4 (0.38) | PTGER4POLBDRD2DRD4CCR1 | |
| SCHEMBL6984734 | 0.84 | AVPR2 (0.36) | PTGER4AVPR2AVPR1AFPR1FPR2 | |
| SCHEMBL7958965 | 0.82 | IDO1 (0.45) | POLBDRD2DRD4AVPR2IDO1 | |
| SCHEMBL6986002 | 0.81 | RXRA (0.45) | PTGER4RXRARXRBRXRG | |
| SCHEMBL7958782 | 0.80 | IDO1 (0.45) | POLBDRD2DRD4AVPR2IDO1 | |
| SCHEMBL6979942 | 0.80 | TSHR (0.38) | PTGER4AVPR2AVPR1AFPR1FPR2 | |
| SCHEMBL6986115 | 0.80 | ITGB3 (0.40) | PTGER4AVPR2AVPR1AOXTRRXRA | |
| SCHEMBL6977636 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL6986008 | 0.78 | MEN1 (0.39) | PTGER4AVPR2AVPR1AFPR1FPR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |
| EP-0991624-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000371-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-01-07 | — | — | WO | disclosed |