Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417254 | 0.80 | CA12 (0.45) | NPSR1ALDH1A1MEN1FAAHTP53 | |
| SCHEMBL8383111 | 0.79 | KDM5A (0.41) | NPSR1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL644835 | 0.77 | SIGMAR1 (0.34) | NPSR1ALDH1A1MEN1KMT2APAOX | |
| SCHEMBL8416737 | 0.76 | CA12 (0.39) | NPSR1ALDH1A1CYP2C19 | |
| SCHEMBL177796 | 0.75 | — | — | |
| SCHEMBL18902827 | 0.75 | CHRM2 (0.39) | NPSR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL3267270 | 0.74 | CHRM2 (0.38) | NPSR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL8415770 | 0.73 | CA1 (0.33) | NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3453649 | 0.73 | CHRM2 (0.38) | NPSR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL13895313 | 0.72 | CHRM2 (0.32) | NPSR1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222162-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009073153-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | DANA FARBER CANCER INSTITUTE (US) | 2009-06-11 | — | — | WO | disclosed |
| US-4201784-A | ANTITUMOR | INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR (SU) | 1980-05-06 | — | — | US | disclosed |