Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9425505 | 0.92 | HTT (0.64) | ABCB1HTTKDM4EALDH1A1KMT2A | |
| SCHEMBL9714597 | 0.85 | ABCB1 (0.76) | ABCB1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL9714304 | 0.85 | ABCB1 (0.75) | ABCB1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL9815830 | 0.85 | ABCB1 (0.57) | ABCB1HTTKDM4EALDH1A1KMT2A | |
| SCHEMBL9714603 | 0.83 | CYP3A4 (0.73) | ABCB1POLBCYP3A4CYP2C9 | |
| SCHEMBL8173237 | 0.83 | POLB (0.68) | KMT2APOLBCYP3A4CYP2C9 | |
| SCHEMBL9425154 | 0.81 | POLB (0.55) | ABCB1HTTKDM4EALDH1A1KMT2A | |
| SCHEMBL9510944 | 0.79 | KDM4E (0.49) | ABCB1HTTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9815864 | 0.78 | ABCB1 (0.60) | ABCB1POLBCYP3A4CYP2C9 | |
| SCHEMBL9509589 | 0.78 | MEN1 (0.57) | ABCB1HTTKMT2AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0253468-B1 | SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES | ROHM AND HAAS COMPANY (US) | 1991-11-06 | — | — | EP | disclosed |