Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL642699 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2APOLBLMNA | |
| SCHEMBL4059241 | 0.76 | BACE1 (0.40) | ALDH1A1BACE1MEN1KMT2ALMNA | |
| SCHEMBL4976260 | 0.72 | SLC6A2 (0.35) | ALDH1A1KMT2APOLBLMNACHRM1 | |
| SCHEMBL28915947 | 0.71 | SIGMAR1 (0.36) | ALDH1A1MEN1KMT2APOLBGRIN2D | |
| SCHEMBL25337056 | 0.70 | — | — | |
| SCHEMBL16766161 | 0.68 | ALDH1A1 (0.35) | ALDH1A1POLBLMNAGPR55MAPT | |
| SCHEMBL14840518 | 0.68 | ALDH1A1 (0.37) | ALDH1A1KMT2ALMNAMMP2MMP9 | |
| SCHEMBL21245148 | 0.65 | GAA (0.33) | ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL28036996 | 0.65 | — | — | |
| SCHEMBL4973728 | 0.65 | TOP2A (0.33) | POLBGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-20060105997-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | 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-20060105997-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | ALDH1A1 2371/4885BACE1 4085/4885MEN1 2489/4885 |
“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.