Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MGMT | P16455 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL7093887 | 0.82 | HSP90AB1 (0.45) | ALDH1A1CYP2D6ATMIDO1DHFR | |
| SCHEMBL7092922 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL7097439 | 0.78 | ALDH1A1 (0.73) | ALDH1A1CYP2D6ATMIDO1DHFR | |
| SCHEMBL7093994 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP2D6ATMIDO1DHFR | |
| SCHEMBL1442589 | 0.70 | L3MBTL1 (0.67) | ALDH1A1ATMDPP4NPC1RAB9A | |
| SCHEMBL12496103 | 0.69 | SMN1; SMN2 (0.59) | ALDH1A1CYP2D6ATMDHFRLOXL2 | |
| SCHEMBL9287333 | 0.69 | NPSR1 (0.53) | ALDH1A1CYP2D6ATMHTR6 | |
| SCHEMBL10776095 | 0.69 | ALDH1A1 (0.40) | ALDH1A1CYP2D6DHFRMEN1KMT2A | |
| SCHEMBL3706897 | 0.68 | MAPT (0.46) | ALDH1A1IDO1LOXL2MPOCCR2 | |
| Sampirtine SCHEMBL29973209 | 0.67 | MPO (0.49) | IDO1LOXL2MPO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194415-B1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 2003-08-20 | — | — | EP | disclosed |
| US-6469168-B1 | FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY ANXIETY | EGIS Gyógyszergyár Rt. (HU) | 2002-10-22 | — | — | US | disclosed |
| EP-1194415-A2 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | Egis Gyogyszergyar Rt. (HU) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001000617-A2 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE SAME | EGIS Gyógyszergyár Rt. (HU) | 2001-01-04 | — | — | WO | disclosed |