Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484665 | 0.87 | RAB9A (0.54) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL5288034 | 0.86 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL11099516 | 0.86 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL1627274 | 0.86 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL3112570 | 0.79 | NPC1 (0.61) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL31614347 | 0.79 | NPC1 (0.61) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL11360212 | 0.78 | NPC1 (0.47) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| Water SCHEMBL21626175 | 0.78 | NPC1 (0.59) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL5535419 | 0.77 | MAPT (0.63) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL11398427 | 0.77 | RAB9A (0.46) | NPC1RAB9AMAPTSMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6207464-B1 | INCUBATING TARGET WITH DYE TO FORM A COVALENT BOND; BLUE FLUORESCING DYES | CARNEGIE MELLON UNIVERSITY | 2001-03-27 | — | — | US | disclosed |
| US-5852191-A | Rigidized monomethine cyanines | CARNEGIE MELLON UNIVERSITY (US) | 1998-12-22 | — | — | US | disclosed |