Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7746381 | 0.81 | PKM (0.54) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL7746279 | 0.81 | PKM (0.54) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL1959536 | 0.81 | TDP1 (0.66) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL2531000 | 0.81 | TDP1 (0.66) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL2527003 | 0.81 | TDP1 (0.66) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL726735 | 0.81 | TDP1 (0.66) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL11747205 | 0.76 | TDP1 (0.59) | TDP1ALDH1A1TP53TSHRHIF1A | |
| Phenol SCHEMBL8853029 | 0.74 | TDP1 (0.56) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL14062635 | 0.73 | TDP1 (0.46) | TDP1ALDH1A1TP53TSHRHIF1A | |
| SCHEMBL31042803 | 0.73 | MAOB (0.56) | TDP1ALDH1A1TP53TSHRHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| CN-1310709-A | N, N-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2001-08-29 | — | — | CN | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |