Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.39 |
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.39 |
| ▸ | TTBK2 | Q6IQ55 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8930212 | 0.79 | DAO (0.42) | EGFRKDRCDC7DBF4AKT2 | |
| SCHEMBL8929582 | 0.76 | CDC7 (0.57) | EGFRKDRFLT1TTBK1TTBK2 | |
| SCHEMBL8928889 | 0.76 | JAK3 (0.42) | TTBK1TTBK2CDC7DBF4AKT2 | |
| SCHEMBL8929547 | 0.75 | CDC7 (0.42) | TTBK1TTBK2CDC7DBF4AKT2 | |
| SCHEMBL8930219 | 0.71 | SMYD3 (0.41) | KDRMAP3K11 | |
| SCHEMBL6950768 | 0.71 | CYP17A1 (0.39) | CYP17A1CYP11B1CYP11B2EGFRKDR | |
| SCHEMBL7021509 | 0.70 | EGFR (0.70) | EGFRKDRFLT1TTBK1TTBK2 | |
| SCHEMBL24345975 | 0.70 | AKT2 (0.50) | TTBK1TTBK2CDC7DBF4AKT2 | |
| SCHEMBL2598740 | 0.69 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7020471 | 0.69 | EGFR (0.69) | EGFRKDRFLT1TTBK1TTBK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0795556-A1 | 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-09-17 | — | — | EP | claimed |
| EP-0795556-A1 | 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-09-17 | — | — | EP | disclosed |