Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 2/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8191915 | 0.75 | NPC1 (0.44) | DRD2DRD3L3MBTL1HTTNPC1 | |
| SCHEMBL8189085 | 0.74 | SIRT2 (0.47) | PARP10ALDH1A1SIRT2 | |
| SCHEMBL7369224 | 0.72 | QPCT (0.54) | QPCTL3MBTL1HTTTDP1SMN1; SMN2 | |
| SCHEMBL7371153 | 0.70 | SPHK1 (0.57) | HDAC3HDAC1HDAC2HTTNPC1 | |
| SCHEMBL6030537 | 0.70 | ALDH1A1 (0.44) | ALDH1A1LMNA | |
| SCHEMBL7341840 | 0.70 | SPHK1 (0.54) | HDAC3HDAC1HDAC2HTTNPC1 | |
| SCHEMBL3462801 | 0.69 | NPC1 (0.54) | PARP10NPC1RAB9ACASP3SENP8 | |
| SCHEMBL7405693 | 0.69 | MAOB (0.54) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL7404529 | 0.69 | NPC1 (0.43) | PARP10DRD2DRD3NPC1RAB9A | |
| SCHEMBL6167127 | 0.67 | TAAR1 (0.48) | L3MBTL1HTTSMN1; SMN2KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | claimed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | claimed |
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |