Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 5/20 | 0.53 |
| ▸ | CTSS | P25774 | 4/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11448781 | 0.83 | TACR1 (0.51) | CTSLCTSSRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL14435182 | 0.80 | RAB9A (0.40) | CTSLCTSSATMRAB9ANPC1 | |
| SCHEMBL10625625 | 0.80 | NPC1 (0.47) | CTSLCTSSATMRAB9ANPC1 | |
| SCHEMBL24525683 | 0.80 | CTSL (0.53) | CTSLCTSSATMCTSBCTSK | |
| SCHEMBL17358596 | 0.80 | CTSL (0.53) | CTSLCTSSATMCTSBCTSK | |
| SCHEMBL2678260 | 0.79 | CTSL (0.70) | CTSLCTSSATMRAB9ACTSB | |
| SCHEMBL20538251 | 0.79 | CTSL (0.70) | CTSLCTSSATMRAB9ACTSB | |
| SCHEMBL2678259 | 0.79 | CTSL (0.70) | CTSLCTSSATMRAB9ACTSB | |
| SCHEMBL13434955 | 0.78 | ATM (0.49) | CTSLCTSSATMRAB9ANPC1 | |
| SCHEMBL5000788 | 0.78 | NPC1 (0.52) | RAB9ANPC1SMN1; SMN2HTTHDAC3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007089745-A2 | NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX | SIGNATURE R & D HOLDINGS, LLC (US) | 2007-08-09 | — | — | WO | disclosed |