Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6637738 | 0.81 | METAP2 (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL6639465 | 0.81 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL22639921 | 0.77 | GLA (0.56) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL6639863 | 0.77 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL9756642 | 0.76 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL10562402 | 0.76 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL6636431 | 0.76 | METAP2 (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL11195553 | 0.75 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL6639044 | 0.75 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL844076 | 0.75 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 |
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-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1247804-A1 | Pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-09 | — | — | EP | disclosed |