Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6473079 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL6387778 | 0.77 | LMNA (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL6390234 | 0.76 | HTR1A (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28910814 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4C | |
| SCHEMBL20548002 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4C | |
| SCHEMBL9053966 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL29929381 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4C | |
| SCHEMBL20547967 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4C | |
| SCHEMBL9053957 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL22918459 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0472181-B1 | 5-Amine substituted adenosine analogs as immunosuppressants | MERRELL PHARMA INC (US) | 1996-10-02 | — | — | EP | disclosed |
| US-5416076-A | S-adenosyl methionine decarboxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-05-16 | — | — | US | disclosed |
| US-5308837-A | 5'-amine substituted adenosine analogs as immunosuppressants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-05-03 | — | — | US | disclosed |
| EP-0472181-A2 | 5-Amine substituted adenosine analogs as immunosuppressants | MERRELL PHARMACEUTICALS INC. (US) | 1992-02-26 | — | — | EP | disclosed |
| EP-0358536-A2 | Novel S-adenosyl methionine decarboxylase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1990-03-14 | — | — | EP | disclosed |
| EP-0351475-A1 | S-Adenosylmethionine decarboxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-01-24 | — | — | EP | disclosed |