Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11622294 | 0.85 | AKR1C1 (0.39) | AKR1C1HPGDLMNAHDAC4CA2 | |
| SCHEMBL8529984 | 0.78 | AKR1C1 (0.45) | AKR1C1HPGDLMNAHDAC4CA2 | |
| SCHEMBL29155399 | 0.78 | AKR1C1 (0.45) | AKR1C1HPGDLMNAHDAC4CA2 | |
| SCHEMBL14418681 | 0.76 | CES2 (0.40) | LMNACTSKKMT2ACES2CES1 | |
| SCHEMBL28231289 | 0.76 | HDAC4 (0.46) | AKR1C1HPGDLMNAHDAC4KMT2A | |
| Benzene SCHEMBL29067363 | 0.76 | HDAC4 (0.46) | AKR1C1HPGDLMNAHDAC4KMT2A | |
| SCHEMBL27279 | 0.76 | HDAC4 (0.46) | AKR1C1HPGDLMNAHDAC4KMT2A | |
| SCHEMBL6695613 | 0.76 | HDAC4 (0.46) | AKR1C1HPGDLMNAHDAC4KMT2A | |
| SCHEMBL9790949 | 0.76 | AKR1C1 (0.40) | AKR1C1HPGDLMNAHDAC4CTSK | |
| SCHEMBL13446384 | 0.75 | CES2 (0.41) | KMT2ACES2CES1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4119780-A | 2(Isopropyldithio)benzimidazole | MONSANTO COMPANY (US) | 1978-10-10 | — | — | US | disclosed |
| US-4006155-A | Method for preparation of phosphorus polysulfides | MONSANTO COMPANY (US) | 1977-02-01 | — | — | US | disclosed |