Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | KDM4A | O75164 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | MLYCD | O95822 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | ESRRG | P62508 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7047062 | 0.82 | NPC1 (0.46) | NPC1RAB9AKDM4ASMN1; SMN2HSP90AA1 | |
| SCHEMBL7052528 | 0.82 | PKM (0.52) | NPC1RAB9AKDM4ASMN1; SMN2HSP90AA1 | |
| SCHEMBL27658471 | 0.81 | KDM4A (0.60) | KDM4ATRPV1CNR1POLBCYP2D6 | |
| SCHEMBL5725233 | 0.81 | NPC1 (0.73) | NPC1RAB9AHSP90AA1TRPV1MLYCD | |
| SCHEMBL6443745 | 0.80 | CTSS (0.47) | NPC1RAB9ASMN1; SMN2CNR1 | |
| SCHEMBL6443540 | 0.78 | CTSK (0.60) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11176654 | 0.78 | NPC1 (0.90) | NPC1RAB9ASMN1; SMN2HSP90AA1MLYCD | |
| SCHEMBL4651392 | 0.77 | GRIA1 (0.73) | TRPV1KMT2A | |
| SCHEMBL8115111 | 0.77 | NPC1 (0.87) | NPC1RAB9ASMN1; SMN2HSP90AA1TRPV1 | |
| SCHEMBL14020485 | 0.74 | NPC1 (0.92) | NPC1RAB9ASMN1; SMN2HSP90AA1MLYCD |
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-1301474-A2 | TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS | Array Biopharma Inc. (US) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002004412-A2 | TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2002-01-17 | — | — | WO | disclosed |