Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL7961057 | 0.98 | CYP1A2 (0.48) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL5683177 | 0.98 | CYP1A2 (0.48) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL4454573 | 0.98 | CYP1A2 (0.48) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL11300211 | 0.94 | CXCR4 (0.44) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL27980795 | 0.88 | CXCR4 (0.51) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL18183309 | 0.86 | HTR1A (0.40) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL24322571 | 0.85 | ACHE (0.43) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL9676237 | 0.85 | CXCR4 (0.49) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL31058271 | 0.85 | CYP1A2 (0.43) | CYP1A2CXCR4CYP2D6HTR1AHTR2A | |
| SCHEMBL24322374 | 0.85 | ACHE (0.43) | CYP1A2CXCR4CYP2D6HTR1AHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5925642-A | ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-07-20 | — | — | US | disclosed |
| US-5668131-A | CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-09-16 | — | — | US | disclosed |
| US-5561140-A | IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | disclosed |
| US-5530119-A | IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1996-06-25 | — | — | US | disclosed |
| EP-0690713-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994021254-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |