Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13201782 | 0.83 | KDM4E (0.60) | HTTCYP1A2KDM4ERAD52ALDH1A1 | |
| SCHEMBL21310890 | 0.81 | BACE1 (0.39) | HTTCYP1A2CYP2D6KDM4ERAD52 | |
| SCHEMBL6023581 | 0.79 | ITK (0.59) | TLR8ITKNUDT1BACE1 | |
| SCHEMBL12598268 | 0.79 | TLR8 (0.70) | HTTCYP1A2CYP2D6KDM4ERAD52 | |
| SCHEMBL979555 | 0.78 | HTT (0.60) | HTTCYP1A2CYP2D6KDM4ERAD52 | |
| Dimethylamine SCHEMBL6930952 | 0.76 | CYP1A2 (0.90) | HTTCYP1A2CYP2D6KDM4ETLR8 | |
| Dimethylamine SCHEMBL6934118 | 0.74 | CYP1A2 (0.87) | HTTCYP1A2CYP2D6KDM4ETLR8 | |
| SCHEMBL14521693 | 0.74 | CYP1A2 (0.55) | HTTCYP1A2CYP2D6KDM4ERAD52 | |
| SCHEMBL1992429 | 0.73 | CYP1A2 (1.00) | HTTCYP1A2CYP2D6KDM4ETLR8 | |
| SCHEMBL18327521 | 0.73 | HTT (0.54) | HTTCYP1A2CYP2D6KDM4ERAD52 |
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-1487824-A1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003074515-A1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-09-12 | — | — | WO | disclosed |