Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.64 |
| ▸ | DPP4 | P27487 | 4/20 | 0.53 |
| ▸ | AKT1 | P31749 | 3/20 | 0.53 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | AKT2 | P31751 | 1/20 | 0.53 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.50 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.50 |
| ▸ | FAP | Q12884 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7566120 | 1.00 | HDAC8 (0.64) | HDAC8DPP4AKT1PLAUPLAUR | |
| SCHEMBL6164614 | 1.00 | HDAC8 (0.64) | HDAC8DPP4AKT1PLAUPLAUR | |
| Trifluoroacetic Acid SCHEMBL9055785 | 0.93 | HDAC8 (0.57) | HDAC8DPP4AKT1PLAUPLAUR | |
| Valeric Acid SCHEMBL27945275 | 0.88 | HDAC8 (0.51) | HDAC8DPP4AKT1PLAUPLAUR | |
| Piperidine SCHEMBL9052483 | 0.88 | HDAC8 (0.59) | HDAC8DPP4AKT1PLAUPLAUR | |
| SCHEMBL5746194 | 0.87 | HDAC8 (0.62) | HDAC8DPP4OPRD1SLC7A5 | |
| SCHEMBL5746200 | 0.87 | HDAC8 (0.62) | HDAC8DPP4OPRD1SLC7A5 | |
| SCHEMBL368452 | 0.86 | HDAC8 (0.69) | HDAC8DPP4AKT1PLAUPLAUR | |
| SCHEMBL1040335 | 0.86 | HDAC8 (0.69) | HDAC8DPP4AKT1PLAUPLAUR | |
| SCHEMBL1619160 | 0.86 | HDAC8 (0.69) | HDAC8DPP4AKT1PLAUPLAUR |
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-0635008-B1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 2002-09-04 | — | — | EP | claimed |
| EP-0635008-A1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | Pentapharm A.G. (CH) | 1995-01-25 | — | — | EP | claimed |
| WO-1994018185-A1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 1994-08-18 | — | — | WO | claimed |
| WO-1994018185-A1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 1994-08-18 | — | — | WO | disclosed |