Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 8/20 | 0.60 |
| ▸ | ERN1 | O75460 | 2/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6991036 | 0.82 | TNFRSF1A (0.64) | TNFRSF1AERN1S1PR1HDAC6APP | |
| SCHEMBL10436312 | 0.78 | TNFRSF1A (0.61) | TNFRSF1AERN1S1PR1APPKDM4E | |
| SCHEMBL6989732 | 0.76 | TNFRSF1A (0.61) | TNFRSF1AERN1KDM4EHTTMAPT | |
| SCHEMBL5574957 | 0.75 | TNFRSF1A (1.00) | TNFRSF1A | |
| SCHEMBL5574955 | 0.75 | TNFRSF1A (1.00) | TNFRSF1A | |
| SCHEMBL6091816 | 0.75 | TNFRSF1A (0.55) | TNFRSF1AERN1S1PR1HDAC6APP | |
| SCHEMBL6990108 | 0.74 | TNFRSF1A (0.60) | TNFRSF1AERN1KDM4EL3MBTL1RAB9A | |
| SCHEMBL6091543 | 0.74 | ERN1 (0.71) | TNFRSF1AERN1S1PR1APPMAPT | |
| SCHEMBL9519816 | 0.72 | CYP1A2 (0.58) | — | |
| SCHEMBL6988580 | 0.70 | TNFRSF1A (0.59) | TNFRSF1AERN1TUBB4ATUBBTUBA3C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1330448-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | Atherogenics, Inc. (US) | 2003-07-30 | — | — | EP | claimed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | WO | claimed |