Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | GRK2 | P25098 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8478189 | 0.99 | SMN1; SMN2 (0.50) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| SCHEMBL7801985 | 0.95 | SMN1; SMN2 (0.60) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8477879 | 0.94 | SMN1; SMN2 (0.59) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| SCHEMBL7813659 | 0.89 | SMN1; SMN2 (0.51) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8478184 | 0.88 | SMN1; SMN2 (0.50) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| SCHEMBL7808593 | 0.84 | TDP1 (0.54) | RAB9ANPC1CYP1A2MEN1POLB | |
| SCHEMBL7801981 | 0.84 | SMN1; SMN2 (0.60) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8480485 | 0.83 | TDP1 (0.52) | RAB9ANPC1CYP1A2MEN1POLB | |
| Hydrochloric Acid SCHEMBL8477873 | 0.83 | SMN1; SMN2 (0.59) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| SCHEMBL7810947 | 0.82 | SMN1; SMN2 (0.58) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0820990-B1 | Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR (FR) | 2001-01-17 | — | — | EP | disclosed |
| EP-0820990-A2 | Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR ET COMPAGNIE (FR) | 1998-01-28 | — | — | EP | disclosed |