Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14923682 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KMT2ACASP3MAPK1ELANE | |
| SCHEMBL10722361 | 0.80 | KMT2A (0.50) | ALDH1A1TDP1KMT2ACASP3MAPK1 | |
| SCHEMBL6556286 | 0.80 | KMT2A (0.50) | ALDH1A1TDP1KMT2ACASP3MAPK1 | |
| SCHEMBL14928651 | 0.80 | KMT2A (0.50) | ALDH1A1TDP1KMT2ACASP3MAPK1 | |
| SCHEMBL111864 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KMT2APOLB | |
| SCHEMBL14911465 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KMT2AMAPK1CA12CA9 | |
| SCHEMBL2564111 | 0.75 | CASP3 (0.53) | ALDH1A1KMT2ACASP3POLBPKM | |
| SCHEMBL2564113 | 0.75 | CASP3 (0.53) | ALDH1A1KMT2ACASP3POLBPKM | |
| SCHEMBL14910738 | 0.73 | KMT2A (0.43) | ALDH1A1KMT2ACASP3POLBMAOB | |
| SCHEMBL14910736 | 0.73 | KMT2A (0.43) | ALDH1A1KMT2ACASP3POLBMAOB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 | ALDH1A1 1638/4885TDP1 2598/4885KMT2A 1162/4885 |
“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.