Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29850240 | 0.80 | IDH1 (0.48) | PARP1TGFBR1IDH1CNR2MEN1 | |
| SCHEMBL3366428 | 0.78 | PARP1 (0.49) | PARP1TGFBR1IDH1CNR2MEN1 | |
| SCHEMBL24135526 | 0.77 | PARP1 (0.48) | PARP1TGFBR1IDH1GAACNR2 | |
| SCHEMBL10275026 | 0.77 | CCR1 (0.50) | PARP1IDH1GAACNR2TSHR | |
| SCHEMBL14923449 | 0.75 | GAA (0.46) | PARP1TGFBR1GAAHPGDS | |
| SCHEMBL24473869 | 0.75 | ALDH1A1 (0.56) | PARP1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28714450 | 0.74 | RAB9A (0.51) | PARP1TGFBR1IDH1GAAMEN1 | |
| SCHEMBL20390816 | 0.73 | ADRB1 (0.51) | PARP1ALDH1A1 | |
| SCHEMBL30356814 | 0.73 | CCR1 (0.50) | PARP1IDH1MEN1KMT2ACYP1A2 | |
| SCHEMBL19501391 | 0.73 | IDH1 (0.46) | PARP1TGFBR1IDH1GAACNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | SYK, CD38, BTK | PARP1 333/4885TGFBR1 1412/4885IDH1 307/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.