Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | P2RX1 | P51575 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ACP1 | P24666 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.49 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2681462 | 0.88 | MAPT (0.78) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL966454 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPTCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5124471 | 0.81 | ALDH1A1 (0.97) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL7951394 | 0.81 | MAPT (1.00) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL28854422 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL7524681 | 0.81 | EPHX2 (0.78) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL4488889 | 0.80 | MAPT (0.61) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL7692960 | 0.79 | GPR35 (0.74) | MAPTGPR35P2RX1LMNAACP1 | |
| SCHEMBL11001590 | 0.79 | EPHX2 (0.81) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL671986 | 0.78 | MAPT (0.78) | ALDH1A1MAPTCA12CA1CA2 |
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-1173420-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | Novuspharma S.p.A. (IT) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000053581-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | NOVUSPHARMA S.P.A. (IT) | 2000-09-14 | — | — | WO | disclosed |