Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KLK7 | P49862 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27434360 | 0.85 | ALDH1A1 (0.39) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL27432844 | 0.80 | GAA (0.37) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL27434362 | 0.80 | NPC1 (0.39) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL27433624 | 0.66 | ACHE (0.37) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL27458146 | 0.64 | PDPK1 (0.32) | — | |
| SCHEMBL8086540 | 0.61 | HPGD (0.65) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29521865 | 0.57 | KLK7 (0.57) | MEN1KMT2AKLK7S1PR3NPC1 | |
| SCHEMBL5038860 | 0.57 | HPGD (0.74) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL28674114 | 0.57 | TYR (0.47) | NPC1HTTNPSR1 | |
| SCHEMBL28674115 | 0.57 | TYR (0.47) | NPC1HTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1123564-C | Anti-inflammatory compounds | ORTHO MCNEIL PHARMACEUTICAL CO (US) | 2003-10-08 | — | — | CN | claimed |
| CN-1249742-A | Anti-inflammatory compounds | ORTHO MCNEIL PHARMACEUTICAL CO (US) | 2000-04-05 | — | — | CN | claimed |