Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11193661 | 0.86 | POLB (0.46) | POLBACACBKDM4EALDH1A3KMT2A | |
| SCHEMBL692698 | 0.79 | TAAR1 (0.55) | ALDH1A1 | |
| SCHEMBL8047093 | 0.79 | POLB (0.56) | POLBACACBKDM4EALDH1A3KMT2A | |
| SCHEMBL9206133 | 0.77 | GFER (0.36) | KMT2ACYP1A2 | |
| SCHEMBL8109421 | 0.76 | POLB (0.46) | POLBACACBKDM4EALDH1A3KMT2A | |
| SCHEMBL7903010 | 0.76 | POLB (0.53) | POLBACACBKDM4EALDH1A3KMT2A | |
| SCHEMBL19426709 | 0.76 | ACACB (0.54) | POLBACACBKDM4EALDH1A3GAA | |
| SCHEMBL910342 | 0.76 | NQO1 (0.54) | POLBACACBKDM4EPARP10NPC1 | |
| SCHEMBL833204 | 0.75 | POLB (0.56) | POLBACACBKDM4EALDH1A3KMT2A | |
| SCHEMBL3581367 | 0.75 | POLB (0.52) | POLBACACBKDM4EALDH1A3KMT2A |
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-1756112-B1 | PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | BOEHRINGER INGELHEIM INT (DE) | 2011-10-26 | — | — | EP | disclosed |
| US-3960844-A | Preparation of 6-acylamino-2-methyl-2-halomethyl penams | ELI LILLY AND COMPANY (US) | 1976-06-01 | — | — | US | disclosed |