Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9045602 | 0.90 | ADORA1 (0.36) | NPC1RAB9ASMN1; SMN2KDM4EADORA1 | |
| SCHEMBL9045445 | 0.89 | ADORA1 (0.38) | KDM4EADORA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9046427 | 0.88 | ADORA1 (0.38) | NPC1RAB9AADORA1MAPTCYP1A2 | |
| SCHEMBL9046822 | 0.88 | ADORA1 (0.38) | ADORA1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9046114 | 0.88 | ADORA1 (0.46) | NPC1RAB9ASMN1; SMN2ADORA1CYP1A2 | |
| SCHEMBL9471023 | 0.83 | KMT2A (0.43) | RAB9ASMN1; SMN2KDM4EPTPN11MAPT | |
| SCHEMBL9044777 | 0.82 | ADORA1 (0.38) | ADORA1ABL1 | |
| SCHEMBL9047678 | 0.81 | MAPK14 (0.34) | RAB9AKDM4EADORA1ALDH1A1HPGD | |
| SCHEMBL9049865 | 0.80 | CA2 (0.37) | KDM4EHPGDCA12CA1CA2 | |
| SCHEMBL9044312 | 0.79 | ADORA1 (0.39) | NPC1RAB9AADORA1CYP1A2CYP2C9 |
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-0432677-B1 | N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives | UNIV PRINCETON (US) | 1996-03-06 | — | — | EP | disclosed |
| US-5344932-A | N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives | TRUSTEES OF PRINCETON UNIVERSITY (US) | 1994-09-06 | — | — | US | disclosed |
| US-5248775-A | Pyrrolo(2,3-d)pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-09-28 | — | — | US | disclosed |
| EP-0432677-A1 | N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-06-19 | — | — | EP | disclosed |