Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9687928 | 0.90 | MMP13 (0.46) | SRD5A2ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL8985906 | 0.86 | SRD5A2 (0.60) | SRD5A2ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL8985820 | 0.79 | MMP13 (0.68) | ALDH1A1KDM4EHPGDHSD17B10ROCK2 | |
| SCHEMBL9688119 | 0.74 | MMP13 (0.61) | ALDH1A1KDM4EHPGDHSD17B10ROCK2 | |
| SCHEMBL5200855 | 0.72 | MGLL (0.60) | ALDH1A1ROCK2MGLLNPC1TP53 | |
| SCHEMBL7833243 | 0.71 | LEF1 (0.55) | SRD5A2ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7908588 | 0.70 | KCNQ2 (0.57) | ALDH1A1ROCK2MGLLNPC1TP53 | |
| SCHEMBL28292646 | 0.70 | SERPINE1 (0.45) | ALDH1A1HPGDROCK2TP53MAPT | |
| SCHEMBL9127299 | 0.70 | NPC1 (0.67) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL700511 | 0.70 | SRD5A2 (0.73) | SRD5A2ALDH1A1KDM4ECYP1A2CYP2C9 |
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-0507861-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. | UPJOHN CO (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | disclosed |