Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2205243 | 0.80 | LMNA (0.48) | HSD17B1HSD17B2SMN1; SMN2CYP3A4KMT2A | |
| SCHEMBL9131390 | 0.78 | HSD17B1 (0.36) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL6561636 | 0.72 | ESR1 (0.47) | TDP1CYP3A4KMT2AHTTMEN1 | |
| SCHEMBL9056396 | 0.69 | ESR1 (0.40) | HSD17B1HSD17B2SMN1; SMN2TDP1CYP3A4 | |
| SCHEMBL2206662 | 0.68 | IGF1R (0.40) | CYP3A4KMT2AHTTMEN1ALDH1A1 | |
| SCHEMBL22887375 | 0.68 | CA12 (0.49) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL1891685 | 0.68 | HSD17B1 (0.45) | HSD17B1HSD17B2SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL23142841 | 0.67 | ALDH1A1 (0.35) | HSD17B1HSD17B2CYP3A4KMT2AMEN1 | |
| SCHEMBL20170484 | 0.67 | HSD17B3 (0.42) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL18509438 | 0.67 | ESR2 (0.36) | HSD17B1HSD17B2CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188292-B1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GLAXOSMITHKLINE IP DEV LTD (GB) | 2013-05-29 | — | — | EP | disclosed |