Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.69 |
| ▸ | HTR3B | O95264 | 3/20 | 0.69 |
| ▸ | HTR3A | P46098 | 3/20 | 0.69 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.69 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.69 |
| ▸ | USP2 | O75604 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 3/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5265518 | 0.91 | USP2 (0.59) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Phenylpiperazine SCHEMBL11621472 | 0.87 | ADRB1 (0.83) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL5583357 | 0.87 | MAOB (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL16422695 | 0.85 | HTR3E (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL30182373 | 0.85 | ALDH1A1 (0.53) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL6336692 | 0.85 | ADRB1 (0.69) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL2267322 | 0.84 | ALDH1A1 (0.58) | USP2ALDH1A1TSHRHSD17B10MAPK1 | |
| Phenylpiperazine SCHEMBL2002893 | 0.84 | ADRB1 (0.77) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Phenylpiperazine SCHEMBL24889 | 0.83 | ADRB1 (1.00) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Phenylpiperazine SCHEMBL55125 | 0.83 | ADRB1 (1.00) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-2057161-A2 | 4-OXO-4,5-DIHYDROPYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008017883-A2 | 4-OXO-4,5-DIHYDROPYRROLO[1,2-A] QUINOXALINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-02-14 | — | — | WO | disclosed |